3-benzoyl-6-nitro-1,3-benzothiazol-2(3H)-one
Basic information
- CAS
51360-59-9- Standard SMILES
O=C(c1ccccc1)n1c(=O)sc2cc([N+](=O)[O-])ccc21- InChIKey
PURIZPFHCJAXIR-UHFFFAOYSA-N- Molecular formula
- C14H8N2O4S
- Average molar mass
- 300.29 g/mol
- Monoisotopic mass
- 300.02047791
Names & identifiers
- Preferred name
- 3-benzoyl-6-nitro-1,3-benzothiazol-2(3H)-one
- IUPAC
- 3-benzoyl-6-nitro-1,3-benzothiazol-2-one
- English name
- 3-Benzoyl-6-nitro-1,3-benzothiazol-2(3H)-one
- Molecular weight
- 0
Names & synonyms
Oprea1_574719AKOS0243438693-benzoyl-6-nitro-1,3-benzothiazol-2(3H)-one
Database identifiers
- CAS
51360-59-9- PubChem CID
- 677462
- EC Number
- 140-846-9
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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