Basic information
- CAS
34819-62-0- Standard SMILES
C=C=CC(Cl)(Cl)Cl- InChIKey
KHDBCNPJIMEGBN-UHFFFAOYSA-N- Molecular formula
- C4H3Cl3
- Average molar mass
- 157.42 g/mol
- Monoisotopic mass
- 155.930033
Names & identifiers
- Preferred name
- 4,4,4-Trichloro-1,2-butadiene
- IUPAC
- 4,4,4-trichlorobuta-1,2-diene
Names & synonyms
4,4,4-TRICHLORO-1,2-BUTADIENE34819-62-04,4,4-trichloro-buta-1,2-dieneSCHEMBL5317257
Database identifiers
- CAS
34819-62-0- PubChem CID
- 36935
- Nikkaji
- J1.617.996E
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
- 7
- Formal charge
- 0
- Complexity
- 94
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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