Basic information
- CAS
1261565-72-3- Standard SMILES
N#Cc1cc(-c2cccc(C(F)(F)F)c2)ccc1O- InChIKey
YHILBAIOBSEIMO-UHFFFAOYSA-N- Molecular formula
- C14H8F3NO
- Average molar mass
- 263.21 g/mol
- Monoisotopic mass
- 263.05579836
Names & identifiers
- Preferred name
- 2-Hydroxy-5-[3-(trifluoromethyl)phenyl]benzonitrile
- IUPAC
- 2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzonitrile
Names & synonyms
1261565-72-32-hydroxy-5-[3-(trifluoromethyl)phenyl]benzonitrileMFCD18314447DTXSID90684893AKOS0175569122-Cyano-4-(3-trifluoromethylphenyl)phenol, 95%4-Hydroxy-3'-(trifluoromethyl)[1,1'-biphenyl]-3-carbonitrile
Database identifiers
- CAS
1261565-72-3- PubChem CID
- 53220122
- DTXSID
DTXSID90684893
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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