AG002ECY

19013-15-1 | Benzoic acid, 4-Methyl-3-nitro-, ethyl ester

AG002ECY

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CAS Number	19013-15-1
Catalog Number	AG002ECY(AGN-PC-0032MN)
Chemical Name	Benzoic acid, 4-Methyl-3-nitro-, ethyl ester
IUPAC Name	ethyl 4-methyl-3-nitrobenzoate
InChI	InChI=1S/C10H11NO4/c1-3-15-10(12)8-5-4-7(2)9(6-8)11(13)14/h4-6H,3H2,1-2H3
InChI Key	FWOACYVHDUBZDT-UHFFFAOYSA-N
MDL Number	MFCD06204349
Molecular Formula	C10H11NO4
Molecular Weight	209.1986
SMILES	O=C(OCC)C1=CC=C(C)C([N+]([O-])=O)=C1
Synonyms	ethyl 4-methyl-3-nitrobenzoate, 19013-15-1, 4-Methyl-3-nitrobenzoic acid ethyl ester, Benzoic acid, 4-methyl-3-nitro-, ethyl ester, SCHEMBL1981486, CTK0E1676, KS-00003HHK, DTXSID00565861, FWOACYVHDUBZDT-UHFFFAOYSA-N, 6405AD, MFCD06204349, ZINC34411661, AKOS005766815, AS-8506, AJ-88386, 4-methyl-3-nitro-benzoic acid ethyl ester, DB-010080, FT-0686797, TL80090855, I01-7516, C10H11NO4,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.069g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	209.201g/mol
Monoisotopic Mass	209.069g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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