Methyl 3-nitrobenzoate
Properties
- Molecular formula
- C8H7NO4
- Molar mass
- 181.15 g/mol
- Exact mass
- 181.0375 Da
- Melting point
- 78 °C
- Boiling point
- 279 °C
- logP
- 1.38Crippen estimate
- Polar surface area
- 69.4 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Identifiers
CAS number
618-95-1SMILES
COC(=O)c1cccc([N+](=O)[O-])c1InChIKey
AXLYJLKKPUICKV-UHFFFAOYSA-NInChI
InChI=1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- m-Carbomethoxynitrobenzene
- 3-Methoxycarbonyl-1-nitrobenzene
- m-Nitrobenzoic acid methyl ester
- 3-Nitrobenzoic acid methyl ester
- NSC 1327
- Benzoic acid, 3-nitro-, methyl ester
- Benzoic acid, m-nitro-, methyl ester
- Methyl m-nitrobenzoate
Reactions
Work with Methyl 3-nitrobenzoate
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Dimethyl 5-nitroisophthalate13290-96-572 % similar
Methyl 3,5-dinitrobenzoate2702-58-172 % similar
Ethyl m-nitrobenzoate618-98-468 % similar
Methyl 4-nitrobenzoate619-50-168 % similar
Dimethyl 4-nitrophthalate610-22-063 % similar
3,3′-Dinitrobenzophenone21222-05-962 % similar
Dimethyl isophthalate1459-93-462 % similar
Methyl 2-chloro-4-nitrobenzoate13324-11-360 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds
Same formula
2-Aminoterephthalic acid10312-55-7
(4-Nitrophenyl)acetic acid104-03-0
2-Methyl-6-nitrobenzoic acid13506-76-8
2-Methoxy-4-nitrobenzaldehyde136507-15-8
1-(2-Hydroxy-5-nitrophenyl)ethanone1450-76-6
2,3-Dihydro-6-nitro-1,4-benzodioxin16498-20-7
5-Methyl 2,5-pyridinedicarboxylate17874-79-2
3-Nitrophenylacetic acid1877-73-2