AG002857

202264-66-2 | Benzoic acid, 2,4-dimethyl-5-nitro-, methyl ester

AG002857

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CAS Number	202264-66-2
Catalog Number	AG002857(AGN-PC-0QSQZ1)
Chemical Name	Benzoic acid, 2,4-dimethyl-5-nitro-, methyl ester
IUPAC Name	methyl 2,4-dimethyl-5-nitrobenzoate
InChI	InChI=1S/C10H11NO4/c1-6-4-7(2)9(11(13)14)5-8(6)10(12)15-3/h4-5H,1-3H3
InChI Key	QAORUQFQPFOSBF-UHFFFAOYSA-N
MDL Number	MFCD00184976
Molecular Formula	C10H11NO4
Molecular Weight	209.1986
SMILES	O=C(OC)C1=CC([N+]([O-])=O)=C(C)C=C1C
Synonyms	methyl 2,4-dimethyl-5-nitrobenzoate, 202264-66-2, AC1Q41XC, CTK8H5039, DTXSID00448423, BENZOIC ACID, 2,4-DIMETHYL-5-NITRO-, METHYL ESTER (9CI), CL9023, MFCD00184976, ZINC34563243, AKOS009485956, MCULE-6507448727, NE61265, AJ-89353, AS-46175, EN300-64779, Benzoic acid, 2,4-dimethyl-5-nitro-, methyl ester, Z1258992507, Methyl 2,4-dimethyl-5-nitro-benzoate, CID10921732,

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	P280-P305+P351+P338
UN Code

Certificate of Analysis

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