Basic information
- CAS
83682-47-7- Standard SMILES
ClC#CC(Cl)(Cl)C(Cl)(Cl)Cl- InChIKey
NIEGKJGSIIRZGH-UHFFFAOYSA-N- Molecular formula
- C4Cl6
- Average molar mass
- 260.8 g/mol
- Monoisotopic mass
- 257.813116
Names & identifiers
- Preferred name
- 1-Hexachlorobutyne
- IUPAC
- 1,3,3,4,4,4-hexachlorobut-1-yne
Names & synonyms
1-HEXACHLOROBUTYNE83682-47-71,3,3,4,4,4-hexachlorobut-1-yneDTXSID30232514
Database identifiers
- CAS
83682-47-7- PubChem CID
- 55076
- DTXSID
DTXSID30232514- Nikkaji
- J1.596.132E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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