chempirical

2-Methyl-6-nitrobenzoic anhydride

C16H12N2O7CAS 434935-69-0344.28 g/mol

Open in Covalent MOL file
N+OO−OOON+OO−
Acid anhydrideNitro

Properties

Molecular formula
C16H12N2O7
Molar mass
344.28 g/mol
Exact mass
344.0645 Da
Melting point
178–180 °C
logP
3.12Crippen estimate
Polar surface area
129.7 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
4

Identifiers

CAS number
434935-69-0
SMILES
Cc1cccc([N+](=O)[O-])c1C(=O)OC(=O)c1c(C)cccc1[N+](=O)[O-]
InChIKey
YEKPNMQQSPHKBP-UHFFFAOYSA-N
InChI
InChI=1S/C16H12N2O7/c1-9-5-3-7-11(17(21)22)13(9)15(19)25-16(20)14-10(2)6-4-8-12(14)18(23)24/h3-8H,1-2H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzoic acid, 2-methyl-6-nitro-, 1,1′-anhydride
  • Benzoic acid, 2-methyl-6-nitro-, anhydride
  • MNBA
  • 2-Methyl-6-nitrobenzoic acid anhydride
  • (2-Methyl-6-nitrobenzoyl) 2-methyl-6-nitrobenzoate

Work with 2-Methyl-6-nitrobenzoic anhydride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methyl-6-nitrobenzoic acid13506-76-865 % similar 3-Nitro-O-xylene83-41-057 % similar Dimethyl 3-nitrophthalate13365-26-956 % similar 2-Nitrotoluene88-72-256 % similar 3-Methylphthalic anhydride4792-30-755 % similar 2,3-Dinitrotoluene602-01-755 % similar 2-Chloro-1-methyl-3-nitrobenzene3970-40-954 % similar 2-Methyl-6-nitrophenol13073-29-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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