Basic information
- CAS
4337-51-3- Standard SMILES
O=c1[nH]sc2cc([N+](=O)[O-])ccc12- InChIKey
QTFPWACIYKUKEW-UHFFFAOYSA-N- Molecular formula
- C7H4N2O3S
- Average molar mass
- 196.19 g/mol
- Monoisotopic mass
- 195.99426317
Names & identifiers
- Preferred name
- 1,2-Benzisothiazol-3(2H)-one, 6-nitro-
- IUPAC
- 6-nitro-1,2-benzothiazol-3-one
Names & synonyms
1,2-Benzisothiazol-3(2H)-one, 6-nitro-6-Nitro-1,2-benzisothiazol-3(2H)-one4337-51-3CCRIS 6371Oprea1_157190SCHEMBL482652DTXSID10195835MFCD01744843AKOS0017453016-Nitro-1,2-benzothiazol-3(2H)-one6-nitro-2-hydrobenzo[d]isothiazol-3-oneST050461
Show more names
SR-01000529641SR-01000529641-1
Database identifiers
- CAS
4337-51-3- PubChem CID
- 197811
- DTXSID
DTXSID10195835- Nikkaji
- J415.757E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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