AG002PI1

24805-54-7 | Methyl 3-nitro-2,4-dimethylbenzoate

AG002PI1

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CAS Number	24805-54-7
Catalog Number	AG002PI1(AGN-PC-0JK2F2)
Chemical Name	Methyl 3-nitro-2,4-dimethylbenzoate
IUPAC Name	methyl 2,4-dimethyl-3-nitrobenzoate
InChI	InChI=1S/C10H11NO4/c1-6-4-5-8(10(12)15-3)7(2)9(6)11(13)14/h4-5H,1-3H3
InChI Key	YSUYMIMLCZOBJX-UHFFFAOYSA-N
MDL Number	MFCD23703478
Molecular Formula	C10H11NO4
Molecular Weight	209.1986
SMILES	CC1=C(C(=O)OC)C=CC(=C1[N+](=O)[O-])C
Synonyms	24805-54-7, METHYL 3-NITRO-2,4-DIMETHYLBENZOATE, methyl 2,4-dimethyl-3-nitrobenzoate, methyl 2,4-dimethyl-3-nitro-benzoate, SCHEMBL15398667, YSUYMIMLCZOBJX-UHFFFAOYSA-N, CL9022, MFCD23703478, ZINC95643257, AKOS027339575, AS-46174, DA-43076, FT-0711832, Benzoic acid, 2,4-dimethyl-3-nitro-, methyl ester,

Complexity	261
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	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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