Basic information
- CAS
87475-56-7- Standard SMILES
N#CCS(=O)(=O)c1ccccc1Cl- InChIKey
ITUDCEPQACNIEN-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO2S
- Average molar mass
- 215.66 g/mol
- Monoisotopic mass
- 214.9807773
Names & identifiers
- Preferred name
- 2-(2-Chlorobenzenesulfonyl) acetonitrile
- IUPAC
- 2-(2-chlorophenyl)sulfonylacetonitrile
- English name
- 2-(2-chlorophenylsulfonyl)acetonitrile
- Molecular formula
- C8H6ClNO2S
- Molecular weight
- 215.65674
Names & synonyms
87475-56-72-(2-chlorophenyl)sulfonylacetonitrile2-(2-chlorobenzenesulfonyl) acetonitrileSCHEMBL5747072SCHEMBL30583825DTXSID90352085ITUDCEPQACNIEN-UHFFFAOYSA-N(2-Chlorobenzene-1-sulfonyl)acetonitrile2-(2-chlorophenylsulfonyl)acetonitrile
Database identifiers
- CAS
87475-56-7- PubChem CID
- 718246
- DTXSID
DTXSID90352085
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 311
Chemistry & industry
Suppliers1 total
BETAPHARMA[email protected]
Related reactions
1 records
Compound notes
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