AG00EF75

61940-22-5 | METHYL-2METHYL-6-NITRO-BENZOATE

AG00EF75

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CAS Number	61940-22-5
Catalog Number	AG00EF75(AGN-PC-0JTI5H)
Chemical Name	METHYL-2METHYL-6-NITRO-BENZOATE
IUPAC Name	methyl 2-methyl-6-nitrobenzoate
InChI	InChI=1S/C9H9NO4/c1-6-4-3-5-7(10(12)13)8(6)9(11)14-2/h3-5H,1-2H3
InChI Key	XPVBLOOMFDNJTH-UHFFFAOYSA-N
MDL Number	MFCD11042453
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
SMILES	COC(=O)C1=C(C)C=CC=C1[N+]([O-])=O
Synonyms	Methyl 2-methyl-6-nitrobenzoate, 61940-22-5, METHYL-2METHYL-6-NITRO-BENZOATE, Methyl 2-Methyl-6-nitro-benzoate, Benzoic acid, 2-methyl-6-nitro-, methyl ester, XPVBLOOMFDNJTH-UHFFFAOYSA-N, 2-Methyl-6-nitro-benzoic acid methyl ester, AC1LC86P, SCHEMBL283363, methyl-2-methyl-6-nitrobenzoate, CTK5B4068, KS-00000HUC, Methyl2-methyl-6-nitro-benzoate, DTXSID50344340, ACT12280, Methyl 2-methyl-6-nitrobenzoate #, ANW-69248, BBL102881, MFCD11042453, STL556689, ZINC32202911, AKOS009098673, AM83065, CS-W006451, NE14844, RP25360, AC-26058, AJ-84993, AK-35874, DS-12528, SC-83397, 2-Methyl-6-nitrobenzoic acid methyl ester, DB-073030, TC-157993, FT-0709067, ST24047728, Y5098, J-522048, C9H9NO4, Methyl2-methyl-6-nitrobenzoate, CID596057,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.053g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.174g/mol
Monoisotopic Mass	195.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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