3-Chloro-2,4,6-trifluoro-5-nitrophenol
Basic information
- CAS
113512-58-6- Standard SMILES
O=[N+]([O-])c1c(F)c(O)c(F)c(Cl)c1F- InChIKey
HZAXFBUIQOPECG-UHFFFAOYSA-N- Molecular formula
- C6HClF3NO3
- Average molar mass
- 227.52 g/mol
- Monoisotopic mass
- 226.9597051
Names & identifiers
- Preferred name
- 3-Chloro-2,4,6-trifluoro-5-nitrophenol
- IUPAC
- 3-chloro-2,4,6-trifluoro-5-nitrophenol
Names & synonyms
DTXSID5012847793-Chloro-2,4,6-trifluoro-5-nitrophenol113512-58-6
Database identifiers
- CAS
113512-58-6- PubChem CID
- 85545599
- DTXSID
DTXSID501284779
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
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Compound notes
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