Methyl 2-nitrobenzoate
Properties
- Molecular formula
- C8H7NO4
- Molar mass
- 181.15 g/mol
- Exact mass
- 181.0375 Da
- Melting point
- −13 °C
- Boiling point
- 275 °C
- logP
- 1.38Crippen estimate
- Polar surface area
- 69.4 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Identifiers
CAS number
606-27-9SMILES
COC(=O)c1ccccc1[N+](=O)[O-]InChIKey
AOXPHVNMBPFOFS-UHFFFAOYSA-NInChI
InChI=1S/C8H7NO4/c1-13-8(10)6-4-2-3-5-7(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
- 2-(Methoxycarbonyl)-1-nitrobenzene
- 2-Nitrobenzoic acid methyl ester
- Benzoic acid, 2-nitro-, methyl ester
- Benzoic acid, o-nitro-, methyl ester
- Methyl o-nitrobenzoate
- 2-(Methoxycarbonyl)nitrobenzene
- o-Nitrobenzoic acid methyl ester
- NSC 4136
Work with Methyl 2-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 3-nitrophthalate13365-26-976 % similar
Methyl 3-nitroanthranilate57113-91-474 % similar
Methyl 3-nitrosalicylate22621-41-672 % similar
2-Fluoro-3-nitrobenzoic acid methyl ester946126-94-972 % similar
1-Methyl 3-nitro-1,2-benzenedicarboxylate21606-04-267 % similar
Dimethyl nitroterephthalate5292-45-567 % similar
Ethyl o-nitrobenzoate610-34-467 % similar
2-(Bromomethyl)-3-nitrobenzoic acid methyl ester98475-07-167 % 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