Basic information
- CAS
64485-31-0- Standard SMILES
O=[N+]([O-])c1ccc(OCCSc2ccccc2)cc1- InChIKey
WQDISBZWJZIXEJ-UHFFFAOYSA-N- Molecular formula
- C14H13NO3S
- Average molar mass
- 275.32 g/mol
- Monoisotopic mass
- 275.06161445
Names & identifiers
- Preferred name
- 1-Nitro-4-[2-(phenylsulfanyl)ethoxy]benzene
- IUPAC
- 1-nitro-4-(2-phenylsulfanylethoxy)benzene
Names & synonyms
64485-31-0NSC3087921-Nitro-4-[2-(phenylsulfanyl)ethoxy]benzeneSCHEMBL11318148DTXSID50316885AKOS017452453NSC-308792
Database identifiers
- CAS
64485-31-0- PubChem CID
- 328720
- DTXSID
DTXSID50316885
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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