1-Nitrodibenzothiophen-4-ol
Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(O)c2sc3ccccc3c12- InChIKey
LYQUQDLMNPGFSS-UHFFFAOYSA-N- Molecular formula
- C12H7NO3S
- Average molar mass
- 245.26 g/mol
Names & identifiers
- Preferred name
- 1-Nitrodibenzothiophen-4-ol
- IUPAC
- 1-nitrodibenzothiophen-4-ol
Names & synonyms
1-Nitrodibenzo[b,d]thiophen-4-ol881375-77-51-nitrodibenzothiophen-4-olMFCD302915171-Nitro-dibenzothiophen-4-olSCHEMBL3292618LYQUQDLMNPGFSS-UHFFFAOYSA-NSY282551CS-0457769
Database identifiers
- PubChem CID
- 49857085
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 319
Related reactions
4 records
Compound notes
Loading…