1-Chloro-1-butyne
Basic information
- CAS
62981-74-2- Standard SMILES
CCC#CCl- InChIKey
QMCVJHYLJSSYQF-UHFFFAOYSA-N- Molecular formula
- C4H5Cl
- Average molar mass
- 88.53 g/mol
- Monoisotopic mass
- 88.0079779
Names & identifiers
- Preferred name
- 1-Chloro-1-butyne
- IUPAC
- 1-chlorobut-1-yne
Names & synonyms
1-CHLORO-1-BUTYNE62981-74-2DTXSID90212190RefChem:229193DTXCID901346811-chlorobut-1-ynechlorobutyneSCHEMBL1001134SCHEMBL2927859SCHEMBL3157701
Database identifiers
- CAS
62981-74-2- PubChem CID
- 44250
- DTXSID
DTXSID90212190- Nikkaji
- J1.622.377H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 62.2
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…