Basic information
- CAS
1261891-91-1- Standard SMILES
CS(=O)(=O)c1ccc(-c2ccc(O)c(C#N)c2)cc1- InChIKey
DBBJZKQYEXWJAE-UHFFFAOYSA-N- Molecular formula
- C14H11NO3S
- Average molar mass
- 273.31 g/mol
- Monoisotopic mass
- 273.04596439
Names & identifiers
- Preferred name
- 2-Cyano-4-(4-methylsulfonylphenyl)phenol
- IUPAC
- 2-hydroxy-5-(4-methylsulfonylphenyl)benzonitrile
Names & synonyms
1261891-91-12-hydroxy-5-(4-methylsulfonylphenyl)benzonitrile2-CYANO-4-(4-METHYLSULFONYLPHENYL)PHENOLMFCD18314501SCHEMBL903994DTXSID606849462-Cyano-4-(4-methylsulfonylphenyl)phenol, 95%4-Hydroxy-4'-(methanesulfonyl)[1,1'-biphenyl]-3-carbonitrile
Database identifiers
- CAS
1261891-91-1- PubChem CID
- 53220175
- DTXSID
DTXSID60684946
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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