AG00277J

17969-20-9 | 4-Thiazoleacetic acid, 2-(4-chlorophenyl)-

AG00277J

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CAS Number	17969-20-9
Catalog Number	AG00277J(AGN-PC-0JGB3R)
Chemical Name	4-Thiazoleacetic acid, 2-(4-chlorophenyl)-
IUPAC Name	2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetic acid
InChI	InChI=1S/C11H8ClNO2S/c12-8-3-1-7(2-4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChI Key	APBSKHYXXKHJFK-UHFFFAOYSA-N
MDL Number	MFCD00721754
Molecular Formula	C11H8ClNO2S
Molecular Weight	253.7047
SMILES	O=C(O)CC1=CSC(C2=CC=C(Cl)C=C2)=N1
UNII	58SRQ4DV53
Synonyms	2-(4-chlorophenyl)-4--thiazoleacetic acid, fenclozic acid, fenclozic acid, potassium salt, fenclozic acid, sodium salt, ICI 54450, ICI-54,450, 17969-20-9, Fenclozic acid, 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetic acid, Mialex, 2-(2-(4-Chlorophenyl)thiazol-4-yl)acetic acid, Myalex, Acidum fenclozicum, 4-Thiazoleacetic acid, 2-(4-chlorophenyl)-, Acido fenclozico, [2-(4-Chlorophenyl)-1,3-thiazol-4-yl]acetic acid, Acido fenclozico [Italian], UNII-58SRQ4DV53, ICI 54,450, Acide fenclozique [INN-French], Acido fenclozico [INN-Spanish], Acidum fenclozicum [INN-Latin], 2-(p-Chlorophenyl)thiazol-4-ylacetic acid, 2-(4-Chlorophenyl)-thiazol-4-ylacetic acid, ICI 54450, 4-THIAZOLEACETIC ACID, 2-(p-CHLOROPHENYL)-, BRN 0528088, 2-(p-Chlorophenyl)-4-thiazoleacetic acid, 2-(4-Chlorophenyl)-4-thiazoleacetic acid, 2-(p-Chlorophenyl)-4-thiazole-acetic acid, Acide p-chlorophenyl-2 thiazole-acetique-4, 58SRQ4DV53, APBSKHYXXKHJFK-UHFFFAOYSA-N, Acide p-chlorophenyl-2 thiazole-acetique-4 [French], ICI-54450, NCGC00160449-01, DSSTox_CID_26157, DSSTox_RID_81388, DSSTox_GSID_46157, Acide fenclozique, CAS-17969-20-9, Fenclozic acid [BAN:INN], Fenclozic acid [INN:BAN], ICI-54,450, 2-(4-chlorophenyl)-4--thiazoleacetic acid, CBMicro_029727, AC1L1G7V, Oprea1_306382, SCHEMBL27104, chlorophenylthiazolylaceticacid, MLS004754493, AC1Q750V, ZINC1430, CHEMBL1909282, DTXSID4046157, CTK4D7360, ALBB-015584, KS-000020FO, Tox21_111819, BBL028894, BDBM50103519, MFCD00721754, SBB053159, STK719736, AKOS000348563, Tox21_111819_1, 8L-323S, MCULE-5704667973, RP14408, 2-(p-Chlorphenyl)-4-thiazoleacetic acid, NCGC00160449-02, NCGC00160449-03, NCGC00160449-04, AJ-08029, AK124324, SMR002529997, BIM-0029456.P001, I.C.I. 54,450, 2-(4'-Chlorophenyl)thiazole-4-acetic acid, 2-(4-Chlorophenyl)-4-thiazole-acetic acid, 2-(4-Chlorophenyl)thiazol-4-ylacetic acid, 4-Thiazoleacetic acid,2-(4-chlorophenyl)-, DB-044375, LS-150682, TR-008243, FT-0637635, ST50949622, V3882, 2-(4-chlorophenyl) thiazol-4-yl acetic acid, EN300-11448, C-4135, SR-01000883990, 4-Thiazoleacetic acid, 2-(4-chlorophenyl)- (9CI), J-505419, SR-01000883990-1, BRD-K90137436-001-01-8, [2-(4-Chlorophenyl)-1,3-thiazol-4-yl]acetic acid #, 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetic acid, AldrichCPR, C11H8ClNO2S, fenclozic acid, sodium salt, fenclozic acid, potassium salt, C11-H8-Cl-N-O2-S, CID28858, 2-(2-(4-Chlorophenyl)thiazol-4-yl)aceticacid, C100273,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.996g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	253.7g/mol
Monoisotopic Mass	252.996g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312
UN Code

Certificate of Analysis

Lot Number