Cyclohexane-1,2,3,4,5,6-hexayl hexakis(dichloroacetate)
Basic information
- CAS
31429-11-5- Standard SMILES
O=C(OC1C(OC(=O)C(Cl)Cl)C(OC(=O)C(Cl)Cl)C(OC(=O)C(Cl)Cl)C(OC(=O)C(Cl)Cl)C1OC(=O)C(Cl)Cl)C(Cl)Cl- InChIKey
TVNVHRYZXKXEPR-UHFFFAOYSA-N- Molecular formula
- C18H12Cl12O12
- Average molar mass
- 845.7 g/mol
- Monoisotopic mass
- 839.659108
Names & identifiers
- Preferred name
- Cyclohexane-1,2,3,4,5,6-hexayl hexakis(dichloroacetate)
- IUPAC
- [2,3,4,5,6-pentakis[(2,2-dichloroacetyl)oxy]cyclohexyl] 2,2-dichloroacetate
Names & synonyms
31429-11-5cyclohexane-1,2,3,4,5,6-hexayl hexakis(dichloroacetate)NSC150504SCHEMBL10568042DTXSID20302371NSC-150504
Database identifiers
- CAS
31429-11-5- PubChem CID
- 289075
- DTXSID
DTXSID20302371
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 18
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 796
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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