Basic information
- CAS
83682-45-5- Standard SMILES
ClC#CCCCl- InChIKey
XEWVKAUWLHVBHH-UHFFFAOYSA-N- Molecular formula
- C4H4Cl2
- Average molar mass
- 122.98 g/mol
- Monoisotopic mass
- 121.96900549
Names & identifiers
- Preferred name
- 1,4-Dichloro-1-butyne
- IUPAC
- 1,4-dichlorobut-1-yne
Names & synonyms
1,4-DICHLORO-1-BUTYNE83682-45-5DTXSID70232513RefChem:220455DTXCID001550041,4-dichlorobut-1-yneSCHEMBL4948757XEWVKAUWLHVBHH-UHFFFAOYSA-NAKOS006387818
Database identifiers
- CAS
83682-45-5- PubChem CID
- 55074
- DTXSID
DTXSID70232513- Nikkaji
- J1.596.116C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 74
Related reactions
3 records
Compound notes
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