Basic information
- CAS
41601-59-6- Standard SMILES
ClC/C=C/C(Cl)Cl- InChIKey
LSNLOFDRJFJKDX-OWOJBTEDSA-N- Molecular formula
- C4H5Cl3
- Average molar mass
- 159.44 g/mol
- Monoisotopic mass
- 157.945683
Names & identifiers
- Preferred name
- 1,1,4-Trichloro-2-butene
- IUPAC
- (E)-1,1,4-trichlorobut-2-ene
- English name
- (E)-1,1,4-Trichloro-2-butene
- Molecular formula
- C4H5Cl3
- Molecular weight
- 159.44
Names & synonyms
1,1,4-TRICHLORO-2-BUTENE41601-59-657808-36-3(E)-1,1,4-Trichloro-2-butene1,1,4-Trichlorobut-2-ene (E)SCHEMBL19987669LSNLOFDRJFJKDX-OWOJBTEDSA-NAKOS006383726DB-2999442-Butene, 1,1,4-trichloro-, (E)- (9CI)
Database identifiers
- CAS
41601-59-6、57808-36-3- PubChem CID
- 6434331
- Nikkaji
- J88.080I、J88.081G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 58
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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