AG003RQK

2702-58-1 | Methyl 3,5-dinitrobenzoate

AG003RQK

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CAS Number	2702-58-1
Catalog Number	AG003RQK(AGN-PC-0JNBBN)
Chemical Name	Methyl 3,5-dinitrobenzoate
EC Number	220-289-9
IUPAC Name	methyl 3,5-dinitrobenzoate
InChI	InChI=1S/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H3
InChI Key	POGCCFLNFPIIGW-UHFFFAOYSA-N
MDL Number	MFCD00017016
Molecular Formula	C8H6N2O6
Molecular Weight	226.1430
NSC Number	7317
SMILES	[N+](=O)([O-])C=1C=C(C(=O)OC)C=C(C1)[N+](=O)[O-]
UNII	UB421R8G90
Synonyms	Methyl 3,5-dinitrobenzoate, 2702-58-1, Benzoic acid, 3,5-dinitro-, methyl ester, POGCCFLNFPIIGW-UHFFFAOYSA-N, 3,5-Dinitrobenzoic acid methyl ester, MFCD00017016, 3,5-dinitro-benzoic acid methyl ester, Methyl 3,5-Dinitrobenzoate,99%, Methyl-3,5-dinitrobenzoate, U300, ACMC-1CR6Q, AC1L5B8W, AC1Q5AI0, KSC494Q3H, SCHEMBL418416, Jsp005266, CHEMBL2252127, CTK3J4833, KS-00000ZZJ, NSC7317, Methyl 3,5-dinitrobenzoate, 99%, ALBB-024845, NSC-7317, ZINC1683476, METHYL-3,5-DINITRO BENZOATE, ANW-44565, BBL000013, SBB068882, STK386186, AKOS001027311, FR-0438, GS-3276, MCULE-5331000948, QC-1577, RTR-033243, TRA0069355, VZ36295, AC-25711, AJ-29753, CJ-06337, CJ-27733, SC-47031, AB0019193, TR-033243, FT-0628516, ST24030996, ST45027982, TL80090806, VU0549299-1, M-1893, AC-907/34105063, J-019713, S01-0495, W-107136, Z56823064, F9995-0127, Methyl 3,5-dinitrobenzoate, Standard for quantitative NMR, TraceCERT(R), InChI=1/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H, Methyl diphenylacetate, 2-Fluoro-4-methylpyridine, D0X5AN, Methyl 3, 5-dinitrobenzoate, UNII-UB421R8G90, C8H6N2O6, UB421R8G90, C8-H6-N2-O6, NSC 7317, EINECS 220-289-9, AR-1J5031, CID222067, Benzoic acid,5-dinitro-, methyl ester, Methyl 3,5-dinitrobenzoate, 98% - 100G 100g, 39301-76-3, 461-87-0,

Complexity	285
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.023g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.144g/mol
Monoisotopic Mass	226.023g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	118A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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