4-Chloro-1-methyl-2-nitrobenzene
Properties
- Molecular formula
- C7H6ClNO2
- Molar mass
- 171.58 g/mol
- Exact mass
- 171.0087 Da
- Melting point
- 38 °C
- Boiling point
- 242 °C
- logP
- 2.56Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
89-59-8SMILES
Cc1ccc(Cl)cc1[N+](=O)[O-]InChIKey
SQFLFRQWPBEDHM-UHFFFAOYSA-NInChI
InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Benzene, 4-chloro-1-methyl-2-nitro-
- Toluene, 4-chloro-2-nitro-
- 4-Chloro-2-nitrotoluene
- p-Chloro-o-nitrotoluene
- 2-Nitro-4-chlorotoluene
- 4-Chloro-2-nitro-1-methylbenzene
- 2-Methyl-5-chloronitrobenzene
- NSC 5386
- 1-Chloro-4-methyl-3-nitrobenzene
Work with 4-Chloro-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
4-Chloro-2-methyl-1-nitrobenzene5367-28-281 % similar
4-Chloro-1,2-dinitrobenzene610-40-268 % similar
2,4-Dinitrotoluene121-14-264 % similar
1,4-Dimethyl-2-nitrobenzene89-58-764 % similar
1,4-Dichloro-2-nitrobenzene89-61-264 % similar
4-Iodo-2-nitrotoluene41252-97-562 % similar
4-Fluoro-1-methyl-2-nitrobenzene446-10-662 % similar
4-Methyl-3-nitroaniline119-32-460 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds