Basic information
- CAS
111680-88-7- Standard SMILES
CCCC(Cl)CCC(=O)OC(=O)CCC(Cl)CCC- InChIKey
BICOYAVVIGGNQG-UHFFFAOYSA-N- Molecular formula
- C14H24Cl2O3
- Average molar mass
- 311.2 g/mol
- Monoisotopic mass
- 310.11025
Names & identifiers
- Preferred name
- 4-Chloroheptanoic anhydride
- IUPAC
- 4-chloroheptanoyl 4-chloroheptanoate
Names & synonyms
4-chloroheptanoic anhydrideDTXSID301173132111680-88-7Heptanoic acid, 4-chloro-, anhydride with 4-chloroheptanoic acid
Database identifiers
- CAS
111680-88-7- PubChem CID
- 85535372
- DTXSID
DTXSID301173132
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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