Basic information
- CAS
348-38-9- Standard SMILES
O=[N+]([O-])c1ccc2nc(Nc3ccc(F)cc3)sc2c1- InChIKey
XWVHMDVSGXZPAL-UHFFFAOYSA-N- Molecular formula
- C13H8FN3O2S
- Average molar mass
- 289.29 g/mol
- Monoisotopic mass
- 289.03212584
Names & identifiers
- Preferred name
- N-(4-Fluorophenyl)-6-nitro-2-benzothiazolamine
- IUPAC
- N-(4-fluorophenyl)-6-nitro-1,3-benzothiazol-2-amine
Names & synonyms
N-(4-Fluorophenyl)-6-nitro-2-benzothiazolamineDTXSID501247248AKOS007917890348-38-9N-(4-fluorophenyl)-6-nitro-1,3-benzothiazol-2-amine
Database identifiers
- CAS
348-38-9- PubChem CID
- 56575673
- DTXSID
DTXSID501247248
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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