AG003PIH

22494-42-4 | [1,​1'-​Biphenyl]​-​3-​carboxylic acid, 2',​4'-​difluoro-​4-​hydroxy-

AG003PIH

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CAS Number	22494-42-4
Catalog Number	AG003PIH(AGN-PC-0JK6FI)
Chemical Name	[1,​1'-​Biphenyl]​-​3-​carboxylic acid, 2',​4'-​difluoro-​4-​hydroxy-
EC Number	245-034-9
IUPAC Name	5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
InChI	InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
InChI Key	HUPFGZXOMWLGNK-UHFFFAOYSA-N
MDL Number	MFCD00057834
Molecular Formula	C13H8F2O3
Molecular Weight	250.1976
NSC Number	756728
RTECS Number	DV2030000
SMILES	Fc1c(ccc(c1)F)c1cc(C(=O)O)c(cc1)O
UNII	7C546U4DEN
Synonyms	Apo Diflunisal, Apo-Diflunisal, ApoDiflunisal, Diflunisal, Dolobid, Dolobis, Dolocid, MK 647, MK-647, MK647, Novo Diflunisal, Novo-Diflunisal, NovoDiflunisal, Nu Diflunisal, Nu-Diflunisal, NuDiflunisal, diflunisal, 22494-42-4, Dolobid, Dolobis, Fluniget, Flovacil, Fluodonil, Adomal, Flustar, 5-(2,4-Difluorophenyl)salicylic acid, Diflunisalum, Difludol, Algobid, Citidol, Noaldol, Reuflos, Unisal, Diflusinal, Dolisal, Dolobil, 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid, MK 647, MK-647, Diflunisalum [INN-Latin], 5-[2,4-Difluorophenyl]salicylic acid, 2-(Hydroxy)-5-(2,4-difluorophenyl)benzoic acid, [1,1'-Biphenyl]-3-carboxylic acid, 2',4'-difluoro-4-hydroxy-, 2',4'-Difluoro-4-hydroxy-3-biphenylcarboxylic acid, UNII-7C546U4DEN, 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, 2',4'-difluoro-4-hydroxybiphenyl-3-carboxylic acid, C13H8F2O3, EINECS 245-034-9, MFCD00057834, 2',4'-Difluoro-4-hydroxy-(1,1'-biphenyl)-3-carboxylic acid, CHEMBL898, BRN 2654431, MLS000028678, 7C546U4DEN, 3-BIPHENYLCARBOXYLIC ACID, 2',4'-DIFLUORO-4-HYDROXY-, CHEBI:39669, (1,1'-Biphenyl)-3-carboxylic acid, 2',4'-difluoro-4-hydroxy-, HUPFGZXOMWLGNK-UHFFFAOYSA-N, Diflunisal-d3, NCGC00016765-01, AK161747, SMR000058723, CAS-22494-42-4, DSSTox_CID_2932, DSSTox_RID_76792, DSSTox_GSID_22932, 2',4'-difluoro-4-hydroxy-biphenyl-3-carboxylic acid, 1FL, Dolobid (TN), Diflunisal [USAN:INN:BAN:JAN], SR-01000003165, Diflunisal (JAN/USP/INN), 2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid, Prestwick_168, Diflunisal [USAN:USP:INN:BAN:JAN], PubChem14748, Spectrum_000962, Opera_ID_803, Prestwick0_000039, Prestwick1_000039, Prestwick2_000039, Prestwick3_000039, Spectrum2_001012, Spectrum3_000392, Spectrum4_000513, Spectrum5_000901, AC1L1F2Z, SCHEMBL4337, BSPBio_000137, BSPBio_002203, KBioGR_001085, KBioSS_001442, MLS001146895, BIDD:GT0063, DivK1c_000938, SPECTRUM1500245, SPBio_001163, SPBio_002058, Diflunisal, analytical standard, BPBio1_000151, GTPL7162, DTXSID5022932, CTK1A3255, HMS502O20, KBio1_000938, KBio2_001442, KBio2_004010, KBio2_006578, KBio3_001423, ZINC20243, NINDS_000938, 2',4'-Difluoro-4-hydroxy[1,1'-biphenyl]-3-carboxylic acid, HMS1568G19, HMS1920G10, HMS2090C16, HMS2091M20, HMS2095G19, HMS3259G17, HMS3712G19, Pharmakon1600-01500245, BCP09905, KS-00000KD6, ZX-AH027458, ZX-AP008530, Tox21_110598, BDBM50240510, CCG-40230, NSC756728, s4609, SBB058143, AKOS005762917, Tox21_110598_1, API0002353, DB00861, KS-1346, MCULE-8281018918, NC00506, NSC-756728, PC11123, TRA0051767, IDI1_000938, SEL14865206, NCGC00016765-02, NCGC00016765-03, NCGC00016765-04, NCGC00016765-05, NCGC00016765-06, NCGC00016765-09, NCGC00022783-03, NCGC00022783-04, AJ-08419, AN-17922, CC-26785, CPD000058723, H776, HY-18342, LS-44258, SAM002554896, SC-13811, SBI-0051347.P003, AB0013252, AX8003209, AB00051969, CS-0007468, FT-0630487, ST24046572, ST51014978, C01691, D00130, J10103, AB00051969-12, AB00051969_13, A816230, C-15398, 2',4'-difluoro-4-hydroxybipheny-3-carboxylic acid, I01-3451, J-014739, SR-01000003165-2, SR-01000003165-3, 5-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-benzoic acid, BRD-K22031190-001-05-3, BRD-K22031190-001-13-7, Diflunisal, European Pharmacopoeia (EP) Reference Standard, [1,1'-Biphenyl]-3-carboxylicacid, 2',4'-difluoro-4-hydroxy-, 2',4'-Difluoro-4-hydroxy-(1',1-diphenyl)-3-carboxylic acid, Diflunisal, United States Pharmacopeia (USP) Reference Standard, 1286107-99-0, Dolocid, Novo-Diflunisal, Apo-Diflunisal, Nu-Diflunisal, NovoDiflunisal, ApoDiflunisal, NuDiflunisal, Novo Diflunisal, Apo Diflunisal, Nu Diflunisal, Merck Brand of Diflunisal, Diflunisal Novopharm Brand, difluorophenylsalicylic acid, Apotex Brand of Diflunisal, D08LFZ, Novopharm Brand of Diflunisal, Nu Pharm Brand of Diflunisal, Nu-Pharm Brand of Diflunisal, Frosst SA Brand of Diflunisal, MK647, CID3059, Diflunisal [USAN:BAN:INN:JAN], C13-H8-F2-O3, Cahill May Roberts Brand of Diflunisal, CS-O-30567, Diflunisal, 98% - 100MG 100mg, Merck Sharp & Dohme Brand of Diflunisal, A16166, D004061,

Complexity	311
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.044g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	250.201g/mol
Monoisotopic Mass	250.044g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335-H350-H360
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number