Basic information
- Standard SMILES
COc1ccccc1Sc1ccccc1[N+](=O)[O-]- InChIKey
IDWYLXNVYMDRNG-UHFFFAOYSA-N- Molecular formula
- C13H11NO3S
- Average molar mass
- 261.3 g/mol
Names & identifiers
- Preferred name
- 2-(2-Methoxyphenylsulfanyl)nitrobenzene
- IUPAC
- 1-(2-methoxyphenyl)sulfanyl-2-nitrobenzene
Names & synonyms
SCHEMBL1341300IDWYLXNVYMDRNG-UHFFFAOYSA-N2-(2-Methoxyphenylsulfanyl)nitrobenzene1-[(2-methoxyphenyl)sulfanyl]-2-nitrobenzeneAE-095/30055010
Database identifiers
- PubChem CID
- 824907
- Nikkaji
- J480.003F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Related reactions
5 records
Compound notes
Loading…