Basic information
- Standard SMILES
O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2s1- InChIKey
FTRYXFCWGPSBCL-UHFFFAOYSA-N- Molecular formula
- C7H3ClN2O3S
- Average molar mass
- 230.63 g/mol
Names & identifiers
- Preferred name
- 2-Oxo-5-chloro-6-nitrobenzothiazoline
- IUPAC
- 5-chloro-6-nitro-3H-1,3-benzothiazol-2-one
Names & synonyms
SCHEMBL6963305FTRYXFCWGPSBCL-UHFFFAOYSA-N2-oxo-5-chloro-6-nitrobenzothiazoline
Database identifiers
- PubChem CID
- 13097093
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 283
Related reactions
3 records
Compound notes
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