1-Chlorohex-1-yne
Basic information
- CAS
1119-66-0- Standard SMILES
CCCCC#CCl- InChIKey
QBEIMDNZYVBQOK-UHFFFAOYSA-N- Molecular formula
- C6H9Cl
- Average molar mass
- 116.59 g/mol
- Monoisotopic mass
- 116.039278
Names & identifiers
- Preferred name
- 1-Chlorohex-1-yne
- IUPAC
- 1-chlorohex-1-yne
Names & synonyms
1-chlorohex-1-yne1119-66-0DTXSID90301891RefChem:1055275DTXCID102530251-Chloro-1-hexyneNSC1471221-Chlorhexin (1)1-hexyne, 1-chloro-SCHEMBL2929391SCHEMBL3147581SCHEMBL3147588
Show more names
SCHEMBL3152244NSC-147122InChI=1/C6H9Cl/c1-2-3-4-5-6-7/h2-4H2,1H
Database identifiers
- CAS
1119-66-0- PubChem CID
- 287340
- DTXSID
DTXSID90301891- Nikkaji
- J270.977E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 82.8
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
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Related reactions
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Compound notes
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