1,3-Difluoro-5-nitrobenzene
Properties
- Molecular formula
- C6H3F2NO2
- Molar mass
- 159.09 g/mol
- Exact mass
- 159.0132 Da
- Melting point
- 17 °C
- Boiling point
- 176.5 °C
- logP
- 1.87Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
2265-94-3SMILES
O=[N+]([O-])c1cc(F)cc(F)c1InChIKey
AUQBBDWDLJSKMI-UHFFFAOYSA-NInChI
InChI=1S/C6H3F2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzene, 1,3-difluoro-5-nitro-
- 3,5-Difluoronitrobenzene
- 3,5-Difluoro-1-nitrobenzene
- NSC 10260
Work with 1,3-Difluoro-5-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-Bromo-3-fluoro-5-nitrobenzene7087-65-274 % similar
3-Fluoro-5-nitrobenzenamine2369-12-271 % similar
1-Fluoro-3-nitrobenzene402-67-567 % similar
1,3,5-Trinitrobenzene99-35-464 % similar
4-Fluoronitrobenzene350-46-962 % similar
1,3,5-Trifluoro-2-nitrobenzene315-14-057 % similar
3,4,5-Trifluoronitrobenzene66684-58-057 % similar
1-Bromo-3,5-dinitrobenzene18242-39-256 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds