4-Methoxy-1-methyl-2-nitrobenzene
Properties
- Molecular formula
- C8H9NO3
- Molar mass
- 167.16 g/mol
- Exact mass
- 167.0582 Da
- Melting point
- 17 °C
- Boiling point
- 266.5 °C
- logP
- 1.91Crippen estimate
- Polar surface area
- 52.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501
Identifiers
CAS number
17484-36-5SMILES
COc1ccc(C)c([N+](=O)[O-])c1InChIKey
JBORNNNGTJSTLC-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzene, 4-methoxy-1-methyl-2-nitro-
- Anisole, 4-methyl-3-nitro-
- 4-Methyl-3-nitroanisole
- 4-Methoxy-2-nitrotoluene
- 2-Nitro-4-methoxytoluene
- 3-Nitro-4-methylanisole
Work with 4-Methoxy-1-methyl-2-nitrobenzene
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
3-Methyl-4-nitroanisole5367-32-882 % similar
4-Iodo-3-nitroanisole58755-70-769 % similar
1,4-Dimethoxy-2-nitrobenzene89-39-469 % similar
4-Methoxy-2-nitroaniline96-96-867 % similar
4,5-Dimethoxy-2-nitrotoluene7509-11-766 % similar
1-Chloro-4-methoxy-2-nitrobenzene10298-80-365 % similar
4-Methoxy-2-nitrophenol1568-70-365 % similar
4-Nitro-3-iodoanisole214279-40-065 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.