Basic information
- CAS
71078-46-1- Standard SMILES
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(O)cc1- InChIKey
IWLRGEKAYJALDI-UHFFFAOYSA-N- Molecular formula
- C13H8F3NO4
- Average molar mass
- 299.2 g/mol
- Monoisotopic mass
- 299.0405424
Names & identifiers
- Preferred name
- 4-[2-Nitro-4-(trifluoromethyl)phenoxy]phenol
- IUPAC
- 4-[2-nitro-4-(trifluoromethyl)phenoxy]phenol
Names & synonyms
4-[2-Nitro-4-(trifluoromethyl)phenoxy]phenol71078-46-1SCHEMBL8684705SCHEMBL8684713DTXSID306329344-(2-nitro-4-trifluoromethylphenoxy)phenol4-(2-nitro-4-trifluoromethylphenoxy) phenol
Database identifiers
- CAS
71078-46-1- PubChem CID
- 23325101
- DTXSID
DTXSID30632934
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Related reactions
6 records
Compound notes
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