Basic information
- CAS
22703-72-6- Standard SMILES
CC(C)CC(=O)CC(O)C(Cl)(Cl)Cl- InChIKey
LXHWHFYGBOTFKX-UHFFFAOYSA-N- Molecular formula
- C8H13Cl3O2
- Average molar mass
- 247.5 g/mol
- Monoisotopic mass
- 245.998113
Names & identifiers
- Preferred name
- 1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone
- IUPAC
- 1,1,1-trichloro-2-hydroxy-6-methylheptan-4-one
Names & synonyms
NSC8301422703-72-61,1,1-trichloro-2-hydroxy-6-methyl-4-heptanone1,1,1-trichloro-2-hydroxy-6-methylheptan-4-oneNSC-83014SCHEMBL7117942CHEMBL1985065DTXSID80292466NCI60_041819
Database identifiers
- CAS
22703-72-6- PubChem CID
- 256296
- DTXSID
DTXSID80292466- ChEMBL
CHEMBL1985065
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…