3-(3-Chloro-benzyl)-3H-benzothiazol-2-one
Basic information
- CAS
90736-71-3- Standard SMILES
O=c1sc2ccccc2n1Cc1cccc(Cl)c1- InChIKey
KDOYFPCWVPNECA-UHFFFAOYSA-N- Molecular formula
- C14H10ClNOS
- Average molar mass
- 275.8 g/mol
- Monoisotopic mass
- 275.0171628
Names & identifiers
- Preferred name
- 3-(3-Chloro-benzyl)-3H-benzothiazol-2-one
- IUPAC
- 3-[(3-chlorophenyl)methyl]-1,3-benzothiazol-2-one
Names & synonyms
3-(3-chlorobenzyl)-1,3-benzothiazol-2(3H)-oneAKOS024325742CCG-275213AB00082221-013-(3-CHLORO-BENZYL)-3H-BENZOTHIAZOL-2-ONE
Database identifiers
- CAS
90736-71-3- PubChem CID
- 779455
- EC Number
- 149-987-0
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 325
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Compound notes
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