4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(p-chlorophenyl)-
Basic information
- CAS
33695-05-5- Standard SMILES
O=C(O)C1CCCc2sc(-c3ccc(Cl)cc3)nc21- InChIKey
HZGXQVUQSUZGGR-UHFFFAOYSA-N- Molecular formula
- C14H12ClNO2S
- Average molar mass
- 293.8 g/mol
- Monoisotopic mass
- 293.0277275
Names & identifiers
- Preferred name
- 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(p-chlorophenyl)-
- IUPAC
- 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
Names & synonyms
33695-05-54-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(p-chlorophenyl)-RefChem:1070348BRN 06193552-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid4,5,6,7-Tetrahydro-2-(p-chlorophenyl)-4-benzothiazolecarboxylic acidp-Chlorophenyl-2 carboxy-4 tetrahydro-4,5,6,7 benzothiazole [French]DTXSID00955309p-Chlorophenyl-2 carboxy-4 tetrahydro-4,5,6,7 benzothiazole
Database identifiers
- CAS
33695-05-5- PubChem CID
- 214682
- DTXSID
DTXSID00955309
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…