Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(Sc2ccc3ccccc3c2)cc1- InChIKey
IVFDDGLNERYUNO-UHFFFAOYSA-N- Molecular formula
- C16H11NO2S
- Average molar mass
- 281.3 g/mol
Names & identifiers
- Preferred name
- 2-(4-Nitrophenylthio)naphthalene
- IUPAC
- 2-(4-nitrophenyl)sulfanylnaphthalene
Names & synonyms
2-(4-nitrophenylthio)naphthaleneSCHEMBL8560807IVFDDGLNERYUNO-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 18971685
- Nikkaji
- J2.563.713E
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 336
Related reactions
6 records
Compound notes
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