Basic information
- CAS
32083-31-1- Standard SMILES
N#CC(=CN)S(=O)(=O)c1ccc(Cl)cc1- InChIKey
BOTZBEHWOJJLSC-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O2S
- Average molar mass
- 242.68 g/mol
- Monoisotopic mass
- 241.9916763
Names & identifiers
- Preferred name
- 3-Amino-2-(4-chlorophenyl)sulfonylprop-2-enenitrile
- IUPAC
- 3-amino-2-(4-chlorophenyl)sulfonylprop-2-enenitrile
- English name
- 3-Amino-2-[(4-chlorophenyl)sulfonyl]acrylonitrile
- Molecular formula
- C9H7ClN2O2S
- Molecular weight
- 242.68
Names & synonyms
AC1LEIRF3-amino-2-(4-chlorophenyl)sulfonylprop-2-enenitrileMaybridge1_004631DTXSID903530923-Amino-2-(4-chlorobenzene-1-sulfonyl)prop-2-enenitrile3-Amino-2-[(4-chlorophenyl)sulfonyl]acrylonitrile2-Propenenitrile, 3-amino-2-[(4-chlorophenyl)sulfonyl]-
Database identifiers
- CAS
32083-31-1- PubChem CID
- 736725
- DTXSID
DTXSID90353092
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Melting point
- 213 °C · 213 °C
- Boiling point
- 513.8 · 513.8±50.0 °C(Predicted)
- Density
- 1.456 · 1.456±0.06 g/cm3(Predicted)
- pka
- -1.34 · -1.34±0.70(Predicted)
Chemistry & industry
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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