3-Nitroanisole
Properties
- Molecular formula
- C7H7NO3
- Molar mass
- 153.14 g/mol
- Exact mass
- 153.0426 Da
- Melting point
- 38.5 °C
- Boiling point
- 258 °C
- logP
- 1.60Crippen estimate
- Polar surface area
- 52.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed97.5% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
555-03-3SMILES
COc1cccc([N+](=O)[O-])c1InChIKey
WGYFINWERLNPHR-UHFFFAOYSA-NInChI
InChI=1S/C7H7NO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Benzene, 1-methoxy-3-nitro-
- Anisole, m-nitro-
- 1-Methoxy-3-nitrobenzene
- m-Methoxynitrobenzene
- m-Nitroanisole
- 3-Methoxynitrobenzene
- Methyl m-nitrophenyl ether
- 3-Methoxy-1-nitrobenzene
- 3-Nitromethoxybenzene
- NSC 4956
- 1-Nitro-3-methoxybenzene
Work with 3-Nitroanisole
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
1-Methoxy-3,5-dinitrobenzene5327-44-668 % similar
3-(Difluoromethoxy)nitrobenzene22236-07-364 % similar
1,3-Dinitrobenzene99-65-062 % similar
1-Nitro-3-(trifluoromethoxy)benzene2995-45-159 % similar
4-Methoxy-4'-nitrobiphenyl2143-90-057 % similar
1,2-Dimethoxy-4-nitrobenzene709-09-157 % similar
1-Bromo-3-methoxy-5-nitrobenzene16618-67-057 % similar
3-Methoxy-5-nitrobenzenamine586-10-757 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.