AG00AC3F

170108-05-1 | 2-Bromo-3,4-difluorobenzoic acid

AG00AC3F

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CAS Number	170108-05-1
Catalog Number	AG00AC3F(AGN-PC-03RD0D)
Chemical Name	2-Bromo-3,4-difluorobenzoic acid
IUPAC Name	2-bromo-3,4-difluorobenzoic acid
InChI	InChI=1S/C7H3BrF2O2/c8-5-3(7(11)12)1-2-4(9)6(5)10/h1-2H,(H,11,12)
InChI Key	SPVFFPDJYPMULI-UHFFFAOYSA-N
MDL Number	MFCD09835210
Molecular Formula	C7H3BrF2O2
Molecular Weight	236.9983
SMILES	OC(=O)C1=C(Br)C(F)=C(F)C=C1
Synonyms	2-BROMO-3,4-DIFLUOROBENZOIC ACID, 170108-05-1, 2-BROMO-3,4-DIFLUOROBENZOICACID, PubChem4992, Intermediates-ZCF02266, ACMC-209e0f, SCHEMBL7558115, CTK7I7762, KS-00000HTZ, DTXSID10627020, ANW-22429, MFCD09835210, ZINC21982528, AKOS015891404, AM62245, CM12473, CS-W019552, LF10772, LS10246, QC-7458, RP28255, AJ-79094, AK-33648, BC002868, DS-12492, SC-48567, SY047632, AB0043818, DB-064767, TC-111174, 4CH-008665, FT-0732402, ST24027801, Z1778, MFCD09835210 (95%), A20174, I01-9465, J-508197, C7H3BrF2O2, B-7430,

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	6.1
Hazard statements	H302-H315-H319
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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