4-Chloro-3-nitrotoluene
Properties
- Molecular formula
- C7H6ClNO2
- Molar mass
- 171.58 g/mol
- Exact mass
- 171.0087 Da
- Melting point
- 7 °C
- Boiling point
- 261 °C
- logP
- 2.56Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
89-60-1SMILES
Cc1ccc(Cl)c([N+](=O)[O-])c1InChIKey
NWESJZZPAJGHRZ-UHFFFAOYSA-NInChI
InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzene, 1-chloro-4-methyl-2-nitro-
- Toluene, 4-chloro-3-nitro-
- 1-Chloro-4-methyl-2-nitrobenzene
- 3-Nitro-4-chlorotoluene
- 2-Chloro-5-methylnitrobenzene
- 1-Chloro-2-nitro-4-methylbenzene
- 2-Chloro-5-methyl-1-nitrobenzene
- NSC 60721
Work with 4-Chloro-3-nitrotoluene
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
2-Chloro-4-methyl-1-nitrobenzene38939-88-777 % similar
3,4-Dinitrotoluene610-39-968 % similar
1,4-Dimethyl-2-nitrobenzene89-58-764 % similar
1,4-Dichloro-2-nitrobenzene89-61-264 % similar
2,4-Dinitrochlorobenzene97-00-764 % similar
1-Chloro-4-fluoro-2-nitrobenzene345-17-562 % similar
2-Chloro-5-methyl-1,3-dinitrobenzene5264-65-361 % similar
4-Methyl-2-nitrophenol119-33-560 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds