AG000M1S

1244642-73-6 | Benzoic acid, 3-bromo-4,5-difluoro-

AG000M1S

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CAS Number	1244642-73-6
Catalog Number	AG000M1S(AGN-PC-0BEPEC)
Chemical Name	Benzoic acid, 3-bromo-4,5-difluoro-
IUPAC Name	3-bromo-4,5-difluorobenzoic acid
InChI	InChI=1S/C7H3BrF2O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
InChI Key	PBUNICLVOHJWRN-UHFFFAOYSA-N
MDL Number	MFCD20233291
Molecular Formula	C7H3BrF2O2
Molecular Weight	236.9983
SMILES	OC(=O)C1=CC(Br)=C(F)C(F)=C1
Synonyms	3-Bromo-4,5-difluorobenzoic acid, 1244642-73-6, AK-92296, SCHEMBL1724284, CTK8C1599, KS-00000PUR, DTXSID60717829, PBUNICLVOHJWRN-UHFFFAOYSA-N, 4601AA, ANW-66957, CL8071, MFCD20233291, ZINC71792128, AKOS016007997, Benzoic acid, 3-bromo-4,5-difluoro-, CM12478, CS-W021860, FCH1416391, PC53246, DS-17599, AB0069776, AJ-118733, AX8227653, ST2410513, TC-155702, 4CH-016606, 3-Bromo-4,5-difluorobenzoic acid, AldrichCPR, X-3403, C7H3BrF2O2, 3-Bromo-4,5-difluorobenzoicacid, CS-T-08141,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.928g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	237g/mol
Monoisotopic Mass	235.928g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number