AG003RN4

87808-49-9 | Methyl 2-bromo-4-methylbenzoate

AG003RN4

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CAS Number	87808-49-9
Catalog Number	AG003RN4(AGN-PC-03FI9Q)
Chemical Name	Methyl 2-bromo-4-methylbenzoate
IUPAC Name	methyl 2-bromo-4-methylbenzoate
InChI	InChI=1S/C9H9BrO2/c1-6-3-4-7(8(10)5-6)9(11)12-2/h3-5H,1-2H3
InChI Key	DJTUYAFJAGLQCK-UHFFFAOYSA-N
MDL Number	MFCD03840737
Molecular Formula	C9H9BrO2
Molecular Weight	229.0706
SMILES	BrC1=C(C(=O)OC)C=CC(=C1)C
Synonyms	Methyl 2-bromo-4-methylbenzoate, 87808-49-9, methyl2-bromo-4-methylbenzoate, 2-BROMO-4-METHYLBENZOIC ACID METHYL ESTER, MFCD03840737, Benzoic acid, 2-bromo-4-methyl-, methyl ester, PubChem14035, ACMC-209qq7, KSC495M0H, SCHEMBL1770905, CTK3J5603, DTXSID00617935, DJTUYAFJAGLQCK-UHFFFAOYSA-N, methyl 2-bromo-4-methyl-benzoate, ACN-C000688, ACT05400, ZINC2513849, ANW-38909, CL8527, FC1122, AKOS015834898, AB16571, AM62254, CS-W005363, QC-7691, RTR-027598, TRA0046788, AC-12278, AJ-36894, AK-46754, AN-35421, BC003821, BC204333, BR-46754, CJ-08705, DS-13913, EN000132, SC-42541, SY021309, AB0027208, DB-011589, TR-027598, 2-Bromo-4-methyl-benzoic Acid Methyl Ester, FT-0081510, FT-0649523, ST24030937, W9018, S-5139, MFCD03840737 (97+%), 808M499, I01-8977, C9H9BrO2, A10460, 25103-58-6,

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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