2-Nitrophenyl 1,2,3,4,4-pentachloro-1,3-butadienyldisulfide
Basic information
- CAS
117760-95-9- Standard SMILES
O=[N+]([O-])c1ccccc1SSC(Cl)=C(Cl)C(Cl)=C(Cl)Cl- InChIKey
KOZUZBMNALPHSO-UHFFFAOYSA-N- Molecular formula
- C10H4Cl5NO2S2
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 408.812609
Names & identifiers
- Preferred name
- 2-Nitrophenyl 1,2,3,4,4-pentachloro-1,3-butadienyldisulfide
- IUPAC
- 1-nitro-2-(1,2,3,4,4-pentachlorobuta-1,3-dienyldisulfanyl)benzene
Names & synonyms
2-Nitrophenyl 1,2,3,4,4-pentachloro-1,3-butadienyldisulfideDTXSID501030231
Database identifiers
- CAS
117760-95-9- PubChem CID
- 147226
- DTXSID
DTXSID501030231
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 434
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Compound notes
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