AG003MHN

220514-28-3 | Methyl 5-bromo-2-methyl-3-nitrobenzoate

AG003MHN

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CAS Number	220514-28-3
Catalog Number	AG003MHN(AGN-PC-04Q546)
Chemical Name	Methyl 5-bromo-2-methyl-3-nitrobenzoate
IUPAC Name	methyl 5-bromo-2-methyl-3-nitrobenzoate
InChI	InChI=1S/C9H8BrNO4/c1-5-7(9(12)15-2)3-6(10)4-8(5)11(13)14/h3-4H,1-2H3
InChI Key	UPBDNPCJIJAMPI-UHFFFAOYSA-N
MDL Number	MFCD07781280
Molecular Formula	C9H8BrNO4
Molecular Weight	274.0681
SMILES	BrC=1C=C(C(=C(C(=O)OC)C1)C)[N+](=O)[O-]
Synonyms	methyl 5-bromo-2-methyl-3-nitrobenzoate, 220514-28-3, SCHEMBL3939940, DTXSID90646092, UPBDNPCJIJAMPI-UHFFFAOYSA-N, CS-M1279, ANW-49214, CL8576, MFCD07781280, ZINC14909845, AKOS014643088, ACN-000019, AM83110, DS-1411, QC-4432, TRA0045150, methyl5-bromo-2-methyl-3-nitrobenzoate, Methyl=5-bromo-2-methyl-3-nitrobenzoate, AJ-65490, AK-76564, BR-76564, CJ-14636, SC-27066, SY005192, AB0023483, DB-018055, TC-137959, A4744, FT-0734668, M2845, ST24033257, W4550, 2-Methyl-5-BroMo-3-nitrobenzoicacidMethylester, S-2462, MFCD07781280 (97+%), 5-Bromo-2-methyl-3-nitrobenzoic Acid Methyl Ester, I01-8938, J-516968, C9H8BrNO4, 5-bromo-2-methyl-3-nitrophenyl acetate, 5-BROMO-2-METHYL-3-NITROPHENYL METHYLCARBOXYLATE,

Complexity	265
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.964g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	274.07g/mol
Monoisotopic Mass	272.964g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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

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