2,3-Dichloropropyl hexanoate
Basic information
- CAS
88606-61-5- Standard SMILES
CCCCCC(=O)OCC(Cl)CCl- InChIKey
OAABQKLXCVXEFH-UHFFFAOYSA-N- Molecular formula
- C9H16Cl2O2
- Average molar mass
- 227.12 g/mol
- Monoisotopic mass
- 226.0527351
Names & identifiers
- Preferred name
- 2,3-Dichloropropyl hexanoate
- IUPAC
- 2,3-dichloropropyl hexanoate
Names & synonyms
2,3-Dichloropropyl hexanoate88606-61-5DTXSID90335398RefChem:244584DTXCID40286487OAABQKLXCVXEFH-UHFFFAOYSA-N1-Propanol, 2,3-dichloro, hexanoate
Database identifiers
- CAS
88606-61-5- PubChem CID
- 525092
- DTXSID
DTXSID90335398
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 140
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…