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Basic information
- Standard SMILES
O=C(Cl)CCCCCC(=O)OCc1ccccc1- InChIKey
IAJOWNIYVAZNML-UHFFFAOYSA-N- Molecular formula
- C14H17ClO3
- Average molar mass
- 268.73 g/mol
- Monoisotopic mass
- 268.0866221
Names & identifiers
- Preferred name
- Benzyl 6-chloroformylcaproate
- IUPAC
- benzyl 7-chloro-7-oxoheptanoate
Names & synonyms
benzyl 6-chloroformylcaproateSCHEMBL11385884IAJOWNIYVAZNML-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 13014657
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 260
Related reactions
1 records
Compound notes
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