Basic information
- Standard SMILES
CCOC(=O)Cn1c(=O)sc2cc(F)c([N+](=O)[O-])cc21- InChIKey
NNQRRSSNHIGTBC-UHFFFAOYSA-N- Molecular formula
- C11H9FN2O5S
- Average molar mass
- 300.26 g/mol
- Monoisotopic mass
- 300.02162073
Names & identifiers
- Preferred name
- 3-ethoxycarbonylmethyl-6-fluoro-5-nitro-2(3H)-benzothiazolone
- IUPAC
- ethyl 2-(6-fluoro-5-nitro-2-oxo-1,3-benzothiazol-3-yl)acetate
Names & synonyms
SCHEMBL10366017NNQRRSSNHIGTBC-UHFFFAOYSA-N3-ethoxycarbonylmethyl-6-fluoro-5-nitro-2(3H)-benzothiazolone
Database identifiers
- PubChem CID
- 14014244
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 430
Related reactions
6 records
Compound notes
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