Basic information
- CAS
83682-35-3- Standard SMILES
C=C=C(Cl)CC=C- InChIKey
VGTJGYKAJQORDD-UHFFFAOYSA-N- Molecular formula
- C6H7Cl
- Average molar mass
- 114.57 g/mol
- Monoisotopic mass
- 114.0236279
Names & identifiers
- Preferred name
- 3-Chlorohexa-1,2,5-triene
- IUPAC
- 3-chlorohexa-1,2,5-triene
Names & synonyms
3-CHLOROHEXA-1,2,5-TRIENE83682-35-3
Database identifiers
- CAS
83682-35-3- PubChem CID
- 55064
- Nikkaji
- J1.596.103A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 107
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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