1,1,4-Trichloro-1,2-butadiene
Basic information
- CAS
58679-08-6- Standard SMILES
ClCC=C=C(Cl)Cl- InChIKey
ZWIQJGKTLUMQPD-UHFFFAOYSA-N- Molecular formula
- C4H3Cl3
- Average molar mass
- 157.42 g/mol
- Monoisotopic mass
- 155.930033
Names & identifiers
- Preferred name
- 1,1,4-Trichloro-1,2-butadiene
- IUPAC
- 1,1,4-trichlorobuta-1,2-diene
Names & synonyms
1,1,4-TRICHLORO-1,2-BUTADIENE58679-08-6DTXSID20207377RefChem:213392DTXCID201298681,1,4-trichlorobuta-1,2-dieneZWIQJGKTLUMQPD-UHFFFAOYSA-N1,1,4-Trichloro-1,2-butadiene #1,2-Butadiene, 1,1,4-trichloro-AKOS006384133
Database identifiers
- CAS
58679-08-6- PubChem CID
- 42808
- DTXSID
DTXSID20207377- Nikkaji
- J1.621.267I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 95.5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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