Heptanoic acid, 2-chloro-1-(chloromethyl)ethyl ester
Basic information
- CAS
88623-76-1- Standard SMILES
CCCCCCC(=O)OC(CCl)CCl- InChIKey
ATTQKRISZDDRHK-UHFFFAOYSA-N- Molecular formula
- C10H18Cl2O2
- Average molar mass
- 241.15 g/mol
- Monoisotopic mass
- 240.0683852
Names & identifiers
- Preferred name
- Heptanoic acid, 2-chloro-1-(chloromethyl)ethyl ester
- IUPAC
- 1,3-dichloropropan-2-yl heptanoate
Names & synonyms
88623-76-1Heptanoic acid, 2-chloro-1-(chloromethyl)ethyl ester1,3-DICHLOROPROPAN-2-YL HEPTANOATEDTXSID50335915
Database identifiers
- CAS
88623-76-1- PubChem CID
- 527985
- DTXSID
DTXSID50335915
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 147
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Compound notes
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