Basic information
- Standard SMILES
O=[N+]([O-])c1ccc2sc(-c3ccccc3Cl)nc2c1- InChIKey
FTSHYGIAKMZLGC-UHFFFAOYSA-N- Molecular formula
- C13H7ClN2O2S
- Average molar mass
- 290.73 g/mol
- Monoisotopic mass
- 289.9916763
Names & identifiers
- Preferred name
- 2-(2-Chlorophenyl)-5-nitrobenzo[d]thiazole
- IUPAC
- 2-(2-chlorophenyl)-5-nitro-1,3-benzothiazole
Names & synonyms
SCHEMBL2248504FTSHYGIAKMZLGC-UHFFFAOYSA-N2-(2-Chlorophenyl)-5-nitrobenzo[d]thiazole
Database identifiers
- PubChem CID
- 67333501
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Related reactions
2 records
Compound notes
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