Basic information
- CAS
83682-43-3- Standard SMILES
C#CCC(Cl)(Cl)Cl- InChIKey
YOSGYUFMGHORDC-UHFFFAOYSA-N- Molecular formula
- C4H3Cl3
- Average molar mass
- 157.42 g/mol
- Monoisotopic mass
- 155.930033
Names & identifiers
- Preferred name
- 4,4,4-Trichloro-1-butyne
- IUPAC
- 4,4,4-trichlorobut-1-yne
Names & synonyms
4,4,4-TRICHLORO-1-BUTYNE83682-43-3DTXSID50232511RefChem:284685DTXCID801550024,4,4-trichlorobut-1-yneSCHEMBL1767322SCHEMBL7546442
Database identifiers
- CAS
83682-43-3- PubChem CID
- 55072
- DTXSID
DTXSID50232511- Nikkaji
- J1.596.114G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 91.2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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