AG0001S0

1003709-47-4 | Benzoic acid, 2-bromo-4-fluoro-6-methyl-

AG0001S0

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CAS Number	1003709-47-4
Catalog Number	AG0001S0(AGN-PC-0WAMOY)
Chemical Name	Benzoic acid, 2-bromo-4-fluoro-6-methyl-
IUPAC Name	2-bromo-4-fluoro-6-methylbenzoic acid
InChI	InChI=1S/C8H6BrFO2/c1-4-2-5(10)3-6(9)7(4)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key	VOFBSAUUUDKWGR-UHFFFAOYSA-N
MDL Number	MFCD09263435
Molecular Formula	C8H6BrFO2
Molecular Weight	233.0344
SMILES	CC1=CC(F)=CC(Br)=C1C(O)=O
Synonyms	2-BROMO-4-FLUORO-6-METHYLBENZOIC ACID, 1003709-47-4, AK-32621, 2-Bromo-4-fluoro-6-methylbenzoicacid, PubChem1363, SCHEMBL1870058, CTK7B7982, DTXSID00662783, VOFBSAUUUDKWGR-UHFFFAOYSA-N, KS-00000II2, ANW-54399, MFCD09263435, ZINC39953643, AKOS016001393, CM12507, FCH1392013, LS10527, QC-9021, RP28050, 2-bromo-4-fluoro-6-methyl-benzoic acid, BC002149, DS-11857, SC-08588, AB0031291, AJ-101354, AX8169898, DB-025855, TC-143144, CS-0041779, FT-0766902, X4312, S-7949, J-508288, C8H6BrFO2, ACN-046835,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.954g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	233.036g/mol
Monoisotopic Mass	231.954g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number