AG003RXD

79669-50-4 | Methyl 5-bromo-2-methylbenzoate

AG003RXD

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CAS Number	79669-50-4
Catalog Number	AG003RXD(AGN-PC-0CJ7MH)
Chemical Name	Methyl 5-bromo-2-methylbenzoate
IUPAC Name	methyl 5-bromo-2-methylbenzoate
InChI	InChI=1S/C9H9BrO2/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5H,1-2H3
InChI Key	FDCYLMYCHALQJR-UHFFFAOYSA-N
MDL Number	MFCD09839555
Molecular Formula	C9H9BrO2
Molecular Weight	229.0706
NSC Number	243705
SMILES	C1=C(C(=CC=C1Br)C)C(=O)OC
Synonyms	Methyl 5-bromo-2-methylbenzoate, 79669-50-4, Methyl 5-Bromo-2-methyl-benzoate, methyl5-bromo-2-methylbenzoate, Methyl 5-bromo-o-toluate, 5-BROMO-2-METHYL-BENZOIC ACID METHYL ESTER, 5-bromo-2-methylbenzoic acid methyl ester, MFCD09839555, BENZOIC ACID, 5-BROMO-2-METHYL-, METHYL ESTER, 5-Bromo-2-methylbenzoicacid, NSC243705, methyl 4-bromo-toluate, PubChem10936, ACMC-1BHME, AC1L7TBP, AC1Q42ZB, KSC495K8P, SCHEMBL155514, methyl 3-bromo-6-methylbenzoate, CTK3J5587, DTXSID20311504, FDCYLMYCHALQJR-UHFFFAOYSA-N, ACT00274, BCP04196, EBD52997, ZINC1764702, 5-Bromo-o-toluic Acid Methyl Ester, methyl 5-bromanyl-2-methyl-benzoate, ANW-37315, BBL103922, STL557732, AKOS014646447, AB53585, AC-7746, ACN-000052, AN-8685, AS04501, CM-1333, CM12536, CS-W007619, LS10769, NSC-243705, QC-7536, RP27799, RTR-025290, TRA0011577, AJ-31631, AK-72499, BC003567, BC225096, BR-72499, SC-13185, SY021478, TS-03250, 5-Bromo-2-methyl benzoic acid methyl ester, AB0009694, DB-031912, ST2413441, TL8005388, TR-025290, 4CH-007488, A9923, A9924, AM20050409, FT-0652392, M2542, MFCD09839555 (95%), A-2642, 669M504, A839734, I01-5787, J-522453, methyl 4-bromo-o-toluate, C9H9BrO2, 5-Bromo-2-methylbenzoic acid, 5-Bromo-2-methyl-benzoic acid, Methyl 5-Bromo-2-methoxynicotinate, methyl5-bromo-2-methyl-benzoate, CID316201, 79669-49-1,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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