Basic information
- CAS
13279-86-2- Standard SMILES
CC(Cl)C=C(Cl)Cl- InChIKey
DXLYBTCQQZDCQD-UHFFFAOYSA-N- Molecular formula
- C4H5Cl3
- Average molar mass
- 159.44 g/mol
- Monoisotopic mass
- 157.945683
Names & identifiers
- Preferred name
- 1,1,3-Trichlorobut-1-ene
- IUPAC
- 1,1,3-trichlorobut-1-ene
- English name
- 1,1,3-Trichloro-1-butene
- Molecular weight
- 0
Names & synonyms
1,1,3-trichlorobut-1-ene13279-86-2DTXSID00927824RefChem:1051715DTXCID4013566041,1,3-TRICHLORO-1-BUTENESCHEMBL4425087
Database identifiers
- CAS
13279-86-2- PubChem CID
- 25829
- DTXSID
DTXSID00927824- Nikkaji
- J88.056F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 73
Related reactions
1 records
Compound notes
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