1-Isopropyl-4-nitrobenzene
Properties
- Molecular formula
- C9H11NO2
- Molar mass
- 165.19 g/mol
- Exact mass
- 165.0790 Da
- Density
- 1.0852 g/mL (at 20 °C)
- Boiling point
- 122 °C
- logP
- 2.72Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Identifiers
CAS number
1817-47-6SMILES
CC(C)c1ccc([N+](=O)[O-])cc1InChIKey
JXMYUMNAEKRMIP-UHFFFAOYSA-NInChI
InChI=1S/C9H11NO2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
15 names · show all
- Benzene, 1-(1-methylethyl)-4-nitro-
- Cumene, p-nitro-
- 1-(1-Methylethyl)-4-nitrobenzene
- p-Isopropylnitrobenzene
- 4-Nitrocumene
- p-Nitrocumene
- 4-Nitroisopropylbenzene
- 2-(p-Nitrophenyl)propane
- 4-Isopropylnitrobenzene
- 4-Isopropyl-1-nitrobenzene
- p-Nitroisopropylbenzene
- NSC 14494
- 4-Nitro-1-isopropylbenzene
- 1-Nitro-4-(propan-2-yl)benzene
- 1-Nitro-4-propan-2-ylbenzene
Work with 1-Isopropyl-4-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
1,4-Dinitrobenzene100-25-463 % similar
4,4′-Dinitro-1,1′-biphenyl1528-74-156 % similar
2-(4-Nitrophenyl)propionic acid19910-33-956 % similar
4-Nitrotoluene99-99-055 % similar
1-Methyl-4-(1-methylethyl)-2-nitrobenzene943-15-754 % similar
4-Nitrochlorobenzene100-00-550 % similar
4-Nitroaniline100-01-650 % similar
4-Nitrophenol100-02-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds