Basic information
- CAS
34632-89-8- Standard SMILES
CC=CC=CCCl- InChIKey
OGAKEJHVQRBQLA-UHFFFAOYSA-N- Molecular formula
- C6H9Cl
- Average molar mass
- 116.59 g/mol
- Monoisotopic mass
- 116.039278
Names & identifiers
- Preferred name
- 1-Chlorohexa-2,4-diene
- IUPAC
- 1-chlorohexa-2,4-diene
- English name
- 1-Chloro-2,4-hexadiene
- Molecular formula
- C6H9Cl
- Molecular weight
- 116.59
Names & synonyms
1-chlorohexa-2,4-diene34632-89-8DTXSID90956128RefChem:1055276DTXCID3013841032,4-Hexadiene, 1-chloro-SCHEMBL3289137SCHEMBL27406598OGAKEJHVQRBQLA-UHFFFAOYSA-NJBA632891-Chloro-2,4-hexadiene
Database identifiers
- CAS
34632-89-8- PubChem CID
- 557009
- DTXSID
DTXSID90956128
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72.2
Physicochemical properties
- Boiling point
- 45.5 °C · 45.5 °C(Press: 12 Torr)
- Density
- 0.9434 g/cm3 · 0.9434 g/cm3(Temp: 24 °C)
Chemistry & industry
Suppliers1 total
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
Related reactions
2 records
Compound notes
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