AG00BFEZ

28314-81-0 | 3-Bromo-2,6-difluorobenzoic acid

AG00BFEZ

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CAS Number	28314-81-0
Catalog Number	AG00BFEZ(AGN-PC-001O31)
Chemical Name	3-Bromo-2,6-difluorobenzoic acid
IUPAC Name	3-bromo-2,6-difluorobenzoic acid
InChI	InChI=1S/C7H3BrF2O2/c8-3-1-2-4(9)5(6(3)10)7(11)12/h1-2H,(H,11,12)
InChI Key	WEBVJSPIUIPJKV-UHFFFAOYSA-N
MDL Number	MFCD09261248
Molecular Formula	C7H3BrF2O2
Molecular Weight	236.9983
SMILES	O=C(O)C1=C(F)C=CC(Br)=C1F
Synonyms	3-Bromo-2,6-difluorobenzoic acid, 28314-81-0, 3-bromo-2,6-difluorobenzoicacid, Benzoic acid, 3-bromo-2,6-difluoro-, SCHEMBL671154, CTK4G1211, DTXSID60560918, WEBVJSPIUIPJKV-UHFFFAOYSA-N, 2,6-difluoro-3-bromobenzoic acid, WT049, 3-Bromo-2,6-difluoro-Benzoicacid, ACT09436, KS-00000P2Y, ANW-45403, MFCD09261248, ZINC34305133, Benzoic acid,3-bromo-2,6-difluoro-, AKOS015998851, AS06921, RP28256, AC-28517, AJ-87894, AK-61305, SY034468, AB0028170, DB-067917, TC-134148, 4CH-000234, CS-0028262, FT-0687096, ST24022705, X0213, MFCD09261248 (95%), 3-Bromo-2,6-difluorobenzoic acid, AldrichCPR, A18570, Q-8864, 28314-81-0 3-bromo-2,6-difluorobenzoic acid, J-511838, Z1741968610, C7H3BrF2O2, 3-bromo-2,6-difluoro benzoicacid, CS-4049,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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