AG00H01T

885519-05-1 | Methyl 3-bromo-2-methyl-5-nitrobenzoate

AG00H01T

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CAS Number	885519-05-1
Catalog Number	AG00H01T(AGN-PC-03HJ9S)
Chemical Name	Methyl 3-bromo-2-methyl-5-nitrobenzoate
IUPAC Name	methyl 3-bromo-2-methyl-5-nitrobenzoate
InChI	InChI=1S/C9H8BrNO4/c1-5-7(9(12)15-2)3-6(11(13)14)4-8(5)10/h3-4H,1-2H3
InChI Key	KHYSOGYKNCNXIS-UHFFFAOYSA-N
MDL Number	MFCD08273772
Molecular Formula	C9H8BrNO4
Molecular Weight	274.0681
SMILES	O=C(OC)C1=CC([N+]([O-])=O)=CC(Br)=C1C
Synonyms	methyl 3-bromo-2-methyl-5-nitrobenzoate, 885519-05-1, 3-BROMO-2-METHYL-5-NITROMETHYL CARBOXYLATE, methyl3-bromo-2-methyl-5-nitrobenzoate, 3-Bromo-2-methyl-5-nitromethyl benzoate, SCHEMBL1335440, DTXSID10619889, KS-00000P0S, 4306AC, MFCD08273772, ZINC14983112, AKOS014882668, DS-2886, AJ-65819, AK-64948, AN-26646, BC005172, methyl 3-bromo-2-methyl-5-nitro-benzoate, DB-077921, CS-0077241, FT-0755045, ST24047804, A10585, L-1253, METHYL-3-BROMO-5-NITRO-2-METHYL BENZOATE, I01-8978, Benzoic acid, 3-bromo-2-methyl-5-nitro-, methyl ester, 3-BROMO-2-METHYL-5-NITRO BENZOIC ACID METHYL ESTER, C9H8BrNO4,

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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