Basic information
- Standard SMILES
O=c1[nH]c2cc([N+](=O)[O-])c(F)cc2s1- InChIKey
JVOFJNPTDFAEEG-UHFFFAOYSA-N- Molecular formula
- C7H3FN2O3S
- Average molar mass
- 214.18 g/mol
- Monoisotopic mass
- 213.9848413
Names & identifiers
- Preferred name
- 6-fluoro-5-nitro-2(3H)-benzothiazolone
- IUPAC
- 6-fluoro-5-nitro-3H-1,3-benzothiazol-2-one
Names & synonyms
111332-15-16-fluoro-5-nitro-2(3H)-benzothiazolone2(3H)-Benzothiazolone,6-fluoro-5-nitro-(9CI)6-FLUORO-5-NITRO-3H-1,3-BENZOTHIAZOL-2-ONESCHEMBL9186534JVOFJNPTDFAEEG-UHFFFAOYSA-N6-Fluoro-5-nitro-2-(3H)-benzothiazoloneDB-2691372(3H)-Benzothiazolone, 6-fluoro-5-nitro-
Database identifiers
- PubChem CID
- 13957955
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 283
Related reactions
13 records
Compound notes
Loading…