Basic information
- CAS
1423-13-8- Standard SMILES
O=Nc1c(F)c(F)c(F)c(F)c1F- InChIKey
OJBLDDIHYSPHIV-UHFFFAOYSA-N- Molecular formula
- C6F5NO
- Average molar mass
- 197.06 g/mol
- Monoisotopic mass
- 196.99000443
Names & identifiers
- Preferred name
- Pentafluoronitrosobenzene
- IUPAC
- 1,2,3,4,5-pentafluoro-6-nitrosobenzene
- English name
- pentafluoronitrosobenzene
- Molecular formula
- C6F5NO
- Molecular weight
- 197.06
Names & synonyms
Pentafluoronitrosobenzene1,2,3,4,5-pentafluoro-6-nitrosobenzene1423-13-8EINECS 215-832-1PerfluoronitrosobenzenePentafluoronitrosylbenzeneBenzene, pentafluoronitroso-AD6D964DTVSCHEMBL24936321DTXSID40162010OJBLDDIHYSPHIV-UHFFFAOYSA-NAKOS004907115
Show more names
2,3,4,5,6-Pentafluoro-1-nitrosobenzene
NS00043983Benzene, 1,2,3,4,5-pentafluoro-6-nitroso-
Database identifiers
- CAS
1423-13-8- PubChem CID
- 74017
- DTXSID
DTXSID40162010- UNII
- AD6D964DTV
- EC Number
- 215-832-1
- Nikkaji
- J298.610H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 202.1 · 202.1±40.0 °C(Predicted)
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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