Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]-
Basic information
- CAS
88112-40-7- Standard SMILES
N#CC1CCC1CS(=O)(=O)c1ccccc1- InChIKey
IHJJZXUKBGAIOD-UHFFFAOYSA-N- Molecular formula
- C12H13NO2S
- Average molar mass
- 235.3 g/mol
- Monoisotopic mass
- 235.06669983
Names & identifiers
- Preferred name
- Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]-
- IUPAC
- 2-(benzenesulfonylmethyl)cyclobutane-1-carbonitrile
Names & synonyms
Cyclobutanecarbonitrile, 2-[(phenylsulfonyl)methyl]-88112-40-7DTXSID103997752-[(phenylsulfonyl)methyl]cyclobutanecarbonitrileAG-826/135320132-[(BENZENESULFONYL)METHYL]CYCLOBUTANE-1-CARBONITRILE
Database identifiers
- CAS
88112-40-7- PubChem CID
- 4138022
- DTXSID
DTXSID10399775
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 381
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Compound notes
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