AG003RUQ

99548-55-7 | Methyl 4-bromo-2-methylbenzoate

AG003RUQ

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CAS Number	99548-55-7
Catalog Number	AG003RUQ(AGN-PC-03JD6S)
Chemical Name	Methyl 4-bromo-2-methylbenzoate
IUPAC Name	methyl 4-bromo-2-methylbenzoate
InChI	InChI=1S/C9H9BrO2/c1-6-5-7(10)3-4-8(6)9(11)12-2/h3-5H,1-2H3
InChI Key	CYEXEOXALMJXDI-UHFFFAOYSA-N
MDL Number	MFCD09954957
Molecular Formula	C9H9BrO2
Molecular Weight	229.0706
SMILES	BrC1=CC(=C(C(=O)OC)C=C1)C
Synonyms	methyl 4-bromo-2-methylbenzoate, 99548-55-7, 4-BROMO-2-METHYL-BENZOIC ACID METHYL ESTER, methyl4-bromo-2-methylbenzoate, Methyl-4-Bromo-2-Methylbenzoate, Benzoic Acid,4-Bromo-2-Methyl-,Methyl Ester, methyl 4-bromo-2-methyl-benzoate, Benzoic acid, 4-bromo-2-methyl-, methyl ester, 4-bromo-2-methylbenzoic acid methyl ester, 2-METHYL-4-BROMO BENZOIC ACID METHYL ESTER, PubChem21350, ACMC-209sd2, AC1Q41XA, KSC680K0J, Methyl 4-bromo-methylbenzoate, SCHEMBL187447, methyl4-bromo-2-methyl-benzoate, CTK5I0504, DTXSID10621806, EBD3864, CYEXEOXALMJXDI-UHFFFAOYSA-N, ACT00613, ALBB-027290, KS-00000BH2, ANW-41028, MFCD09954957, SBB068943, ZINC26894744, AKOS007930562, AB55602, ACN-000235, AN-4363, CS-W003703, GS-4229, MCULE-9753835985, RP27789, RP27800, RTR-030454, TRA0044183, 4-Bromo-2-methyl-benzoicacidmethylester, methyl 4-bromobenzoic acid methyl ester, AJ-82902, AK-28097, AM804636, BC004633, BR-28097, CJ-17584, SC-32054, SY008012, 2-Methyl-4-bromobenzoic acid methyl ester, 4-bromo-2-methylbenzoic acid, methyl ester, AB0007864, AB1004388, ST2413396, TR-030454, FT-0647529, W9879, EN300-60092, B-8354, 62090-EP2272835A1, 62090-EP2308828A2, MFCD09954957 (97+%), J-522318, S01-0676, Z796328472, null, methyl 4-bromo-o-toluate, C9H9BrO2, Methyl 5-bromo-o-toluate, A11335, 2510-23-8,

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	3.4

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