4-Chloro-3-(2-chloroacetyl)-2(3H)-benzothiazolone
Basic information
- CAS
100831-21-8- Standard SMILES
O=C(CCl)n1c(=O)sc2cccc(Cl)c21- InChIKey
WESKEWRNYZWYPW-UHFFFAOYSA-N- Molecular formula
- C9H5Cl2NO2S
- Average molar mass
- 262.11 g/mol
- Monoisotopic mass
- 260.941805
Names & identifiers
- Preferred name
- 4-Chloro-3-(2-chloroacetyl)-2(3H)-benzothiazolone
- IUPAC
- 4-chloro-3-(2-chloroacetyl)-1,3-benzothiazol-2-one
Names & synonyms
DTXSID9012314414-Chloro-3-(2-chloroacetyl)-2(3H)-benzothiazolone4-Chloro-3-(chloroacetyl)-1,3-benzothiazol-2(3H)-one100831-21-8
Database identifiers
- CAS
100831-21-8- PubChem CID
- 85522159
- DTXSID
DTXSID901231441
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 300
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Compound notes
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