AG006SPC

651027-00-8 | 4-Bromo-3,5-difluorobenzoic acid

AG006SPC

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CAS Number	651027-00-8
Catalog Number	AG006SPC(AGN-PC-008UHA)
Chemical Name	4-Bromo-3,5-difluorobenzoic acid
IUPAC Name	4-bromo-3,5-difluorobenzoic acid
InChI	InChI=1S/C7H3BrF2O2/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2H,(H,11,12)
InChI Key	NLLRAEQVOZOSBB-UHFFFAOYSA-N
MDL Number	MFCD18917156
Molecular Formula	C7H3BrF2O2
Molecular Weight	236.9983
SMILES	OC(=O)C1=CC(F)=C(Br)C(F)=C1
Synonyms	4-Bromo-3,5-difluorobenzoic acid, 651027-00-8, MFCD18917156, Benzoic acid, 4-bromo-3,5-difluoro-, SCHEMBL4338424, CTK2A0033, DTXSID60465479, 3,5-Difluoro-4-bromobenzoic acid, KS-00000QH8, 9961AB, ANW-67771, ZINC34546780, AKOS016006471, AC-28620, AJ-89233, AK-82192, DS-16524, TC-156516, CS-0028265, ST24043413, 4-Bromo-3,5-difluorobenzoic acid, AldrichCPR, C7H3BrF2O2, 4-Bromo-3,5-difluorobenzoicacid, 4-bromo-3,5-difluoro-benzoic Acid, CID11424897,

Complexity	176
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