Basic information
- CAS
654646-30-7- Standard SMILES
CCCCCCCCCCCCCCCCCOC(=O)C(Cl)C(Cl)=C(Cl)Cl- InChIKey
JGHIBRVSZFCEFA-UHFFFAOYSA-N- Molecular formula
- C21H36Cl4O2
- Average molar mass
- 462.3 g/mol
- Monoisotopic mass
- 460.146941
Names & identifiers
- Preferred name
- Heptadecyl 2,3,4,4-tetrachlorobut-3-enoate
- IUPAC
- heptadecyl 2,3,4,4-tetrachlorobut-3-enoate
Names & synonyms
654646-30-7HEPTADECYL 2,3,4,4-TETRACHLOROBUT-3-ENOATEDTXSID20798598
Database identifiers
- CAS
654646-30-7- PubChem CID
- 71375868
- DTXSID
DTXSID20798598
Properties
Computed structural properties
- XLogP
- 11.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 19
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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