AG000VBO

131001-86-0 | Benzoic acid, 2-bromo-3-methyl-, methyl ester

AG000VBO

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CAS Number	131001-86-0
Catalog Number	AG000VBO(AGN-PC-0NB5W3)
Chemical Name	Benzoic acid, 2-bromo-3-methyl-, methyl ester
IUPAC Name	methyl 2-bromo-3-methylbenzoate
InChI	InChI=1S/C9H9BrO2/c1-6-4-3-5-7(8(6)10)9(11)12-2/h3-5H,1-2H3
InChI Key	QAOFGUXVDAZKBW-UHFFFAOYSA-N
MDL Number	MFCD00144762
Molecular Formula	C9H9BrO2
Molecular Weight	229.0706
SMILES	BrC1=C(C(=O)OC)C=CC=C1C
Synonyms	Methyl 2-bromo-3-methylbenzoate, 131001-86-0, 2-Bromo-3-methyl-benzoic acid methyl ester, Methyl2-bromo-3-methylbenzoate, 2-Bromo-3-methylbenzoic acid methyl ester, BENZOIC ACID, 2-BROMO-3-METHYL-, METHYL ESTER, MFCD00144762, 3-methyl-2-bromobenzoic acid methyl ester, Methyl 2-bromo-3-methyl-benzoate, PubChem3966, ACMC-1C3GK, Methyl 2-Bromo-m-toluate, Intermediates-ZCF02010, KSC495C9H, Methyl 2-bromo-methyl-benzoate, SCHEMBL1707841, CTK3J5193, Methyl 3-Methyl-2-Bromobenzoate, DTXSID10445408, QAOFGUXVDAZKBW-UHFFFAOYSA-N, ACN-S004351, ACT00185, BCP24541, KS-00000IR4, ZINC2516931, 2-Bromo-m-toluic Acid Methyl Ester, ANW-19247, CM-639, AKOS015834908, AC-5782, AS03639, CM12529, CS-W002430, RTR-004236, AJ-36994, AK-26780, AN-10645, BC002679, BC225093, BR-26780, CJ-08737, SC-66380, SY017148, TS-03249, AB0009691, TL8007237, TR-004236, FT-0628436, M2546, ST24033235, MFCD00144762 (95%), A-3204, 001M860, I01-5777, C9H9BrO2, CID10823279, tert-Butyl 2-(methylamino)ethylcarbamate, A2741,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	229.073g/mol
Monoisotopic Mass	227.979g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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