1,2-Dichloro-3,3,3-trifluoropropenyl 2-nitrophenyl disulfide
Basic information
- CAS
133831-62-6- Standard SMILES
O=[N+]([O-])c1ccccc1SS/C(Cl)=C(\Cl)C(F)(F)F- InChIKey
HKBLETIHDJLCQB-FPLPWBNLSA-N- Molecular formula
- C9H4Cl2F3NO2S2
- Average molar mass
- 350.2 g/mol
- Monoisotopic mass
- 348.9012606
Names & identifiers
- Preferred name
- 1,2-Dichloro-3,3,3-trifluoropropenyl 2-nitrophenyl disulfide
- IUPAC
- 1-[[(E)-1,2-dichloro-3,3,3-trifluoroprop-1-enyl]disulfanyl]-2-nitrobenzene
Names & synonyms
133831-62-61,2-Dichloro-3,3,3-trifluropropenyl 2-nitrophenyl disulfideCCRIS 5315BRN 43261131,2-Dichloro-3,3,3-trifluoropropenyl 2-nitrophenyl disulfideDisulfide, 1,2-dichloro-3,3,3-trifluoro-1-propenyl 2-nitrophenylDTXSID6010303411,2-Dichloro-3,3,3-trifluoro-1-propenyl 2-nitrophenyldisulfide
Database identifiers
- CAS
133831-62-6- PubChem CID
- 3036724
- DTXSID
DTXSID601030341
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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