AG003IMS

455-40-3 | 3,5-Difluorobenzoic acid

AG003IMS

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CAS Number	455-40-3
Catalog Number	AG003IMS(AGN-PC-0WA7TG)
Chemical Name	3,5-Difluorobenzoic acid
IUPAC Name	3,5-difluorobenzoic acid
InChI	InChI=1S/C7H4F2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChI Key	GONAVIHGXFBTOZ-UHFFFAOYSA-N
MDL Number	MFCD00010323
Molecular Formula	C7H4F2O2
Molecular Weight	158.1023
NSC Number	403726
SMILES	C1=C(C=C(C=C1C(O)=O)F)F
Synonyms	3,5-Difluorobenzoic acid, 455-40-3, 3,5-difluorobenzoicacid, Benzoic acid, 3,5-difluoro-, MFCD00010323, GONAVIHGXFBTOZ-UHFFFAOYSA-N, 455-40-3 3,5-Difluorobenzoic acid, NSC403726, PubChem2173, AC1L2QGT, 3,5 difluorobenzoic acid, ACMC-209k3a, 3,5 difluoro benzoic acid, 3,5-di-fluorobenzoic acid, 3,5-difluoro-benzoic acid, AC1Q4NA1, KSC236S3H, SCHEMBL157714, PARAGOS 500056, RARECHEM AL BO 0255, CTK1D6933, KS-00000COL, TIMTEC-BB SBB006663, DTXSID80196536, 3,5-Difluorobenzoic acid, 97%, WT262, ZINC409276, AC1Q7313, ACT09682, JRD-0027, ANW-30308, SBB006663, STL169003, WT2209, AKOS000120654, AB01033, AC-3950, AN-6234, AS00842, CM12663, CS-W016212, LS11169, MCULE-3546027366, NSC-403726, PF10948, PS-8818, RP00318, RTC-062263, TRA0029832, AJ-22714, AK-29265, BR-29265, SC-04664, SY013820, AB0008567, DB-022051, TC-062263, TL8003166, AM20060099, D2596, FT-0084622, FT-0614595, ST24032538, ST50307031, EN300-20992, MFCD00010323 (98%), I01-2731, J-511326, InChI=1/C7H4F2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11, 3,5-Difluoro benzoicacid, C7H4F2O2, C7-H4-F2-O2, AR-1E9649, CID101265, A7173, M-3055, 3,5-Difluorobenzoic acid, 97% - 100G 100g, 489-41-8,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.018g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.104g/mol
Monoisotopic Mass	158.018g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number