Basic information
- CAS
83642-27-7- Standard SMILES
CS(=O)(=O)c1ccc(Oc2ccc(C#N)cc2)cc1- InChIKey
AMBZZIOOUCCXPP-UHFFFAOYSA-N- Molecular formula
- C14H11NO3S
- Average molar mass
- 273.31 g/mol
- Monoisotopic mass
- 273.04596421
Names & identifiers
- Preferred name
- Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)-
- IUPAC
- 4-(4-methylsulfonylphenoxy)benzonitrile
Names & synonyms
83642-27-7Benzonitrile, 4-(4-(methylsulfonyl)phenoxy)-4-(4-(Methylsulfonyl)phenoxy)benzonitrileBenzonitrile, 4-[4-(methylsulfonyl)phenoxy]-4-(4-methylsulfonylphenoxy)benzonitrile4-[4-(METHYLSULFONYL)PHENOXY]-BENZONITRILECHEMBL342442SCHEMBL10951291DTXSID20232482AMBZZIOOUCCXPP-UHFFFAOYSA-NAKOS0090934754-[4-(Methanesulfonyl)phenoxy]benzonitrile
Database identifiers
- CAS
83642-27-7- PubChem CID
- 514876
- DTXSID
DTXSID20232482- ChEMBL
CHEMBL342442
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 429
Related reactions
3 records
Compound notes
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