Basic information
- CAS
83682-42-2- Standard SMILES
C#CCC(Cl)Cl- InChIKey
GZSQUXHPCHUPPD-UHFFFAOYSA-N- Molecular formula
- C4H4Cl2
- Average molar mass
- 122.98 g/mol
- Monoisotopic mass
- 121.9690055
Names & identifiers
- Preferred name
- 4,4-Dichloro-1-butyne
- IUPAC
- 4,4-dichlorobut-1-yne
Names & synonyms
83682-42-24,4-dichlorobut-1-yne4,4-DICHLORO-1-BUTYNESCHEMBL239855SCHEMBL3490498SCHEMBL10073715SCHEMBL20483110DTXSID801003681
Database identifiers
- CAS
83682-42-2- PubChem CID
- 55071
- DTXSID
DTXSID801003681- Nikkaji
- J1.596.113I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 66.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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