Basic information
- CAS
172914-26-0- Standard SMILES
O=[N+]([O-])c1sc2ccccc2c1Nc1cccc(Br)c1- InChIKey
XBNJNGDDFJYNSI-UHFFFAOYSA-N- Molecular formula
- C14H9BrN2O2S
- Average molar mass
- 349.2 g/mol
- Monoisotopic mass
- 347.95681
Names & identifiers
- Preferred name
- N-(3-Bromophenyl)-2-nitrobenzo(b)thiophen-3-amine
- IUPAC
- N-(3-bromophenyl)-2-nitro-1-benzothiophen-3-amine
Names & synonyms
172914-26-0Benzo(b)thiophen-3-amine, N-(3-bromophenyl)-2-nitro-N-(3-Bromophenyl)-2-nitrobenzo(b)thiophen-3-amineN-(3-bromophenyl)-2-nitro-1-benzothiophen-3-amineDTXSID70169431
Database identifiers
- CAS
172914-26-0- PubChem CID
- 154010
- DTXSID
DTXSID70169431- Nikkaji
- J693.645H
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- 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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