2,5-Difluoronitrobenzene
Properties
- Molecular formula
- C6H3F2NO2
- Molar mass
- 159.09 g/mol
- Exact mass
- 159.0132 Da
- Melting point
- −11.7 °C
- Boiling point
- 206.5 °C
- logP
- 1.87Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
364-74-9SMILES
O=[N+]([O-])c1cc(F)ccc1FInChIKey
XNJAYQHWXYJBBD-UHFFFAOYSA-NInChI
InChI=1S/C6H3F2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzene, 1,4-difluoro-2-nitro-
- 1,4-Difluoro-2-nitrobenzene
- 2,5-Difluoro-1-nitrobenzene
- 2-Nitro-1,4-difluorobenzene
- NSC 528657
Work with 2,5-Difluoronitrobenzene
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-Fluoro-1,2-dinitrobenzene364-53-471 % similar
1-Fluoro-2,4-dinitrobenzene70-34-870 % similar
4-Chloro-1-fluoro-2-nitrobenzene345-18-666 % similar
1-Fluoro-4-iodo-2-nitrobenzene364-75-066 % similar
4-Fluoro-3-nitroaniline364-76-166 % similar
1,5-Difluoro-2,4-dinitrobenzene327-92-464 % similar
1-Chloro-4-fluoro-2-nitrobenzene345-17-563 % similar
4-Fluoro-1-iodo-2-nitrobenzene364-77-263 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds