Basic information
- CAS
172914-27-1- Standard SMILES
O=[N+]([O-])c1sc2ccccc2c1Nc1cccc(F)c1- InChIKey
NMCWIYIIZQNROV-UHFFFAOYSA-N- Molecular formula
- C14H9FN2O2S
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.03687687
Names & identifiers
- Preferred name
- Benzo(b)thiophen-3-amine, N-(3-fluorophenyl)-2-nitro-
- IUPAC
- N-(3-fluorophenyl)-2-nitro-1-benzothiophen-3-amine
Names & synonyms
N-(3-Fluorophenyl)-2-nitrobenzo(b)thiophen-3-amineDM58TJT7E2N-(3-fluorophenyl)-2-nitro-1-benzothiophen-3-amineBenzo(b)thiophen-3-amine, N-(3-fluorophenyl)-2-nitro-DTXSID30169432FLUOROPHENYL)-2-NITROBENZO(B)THIOPHEN-3-AMINE, N-(3-RefChem:199760DTXCID1091923172914-27-1UNII-DM58TJT7E2
Database identifiers
- CAS
172914-27-1- PubChem CID
- 154012
- DTXSID
DTXSID30169432- UNII
- DM58TJT7E2
- Nikkaji
- J693.646F
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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