3-Chloro-propionic acid 2-(4-benzoylphenoxy)ethyl ester
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Basic information
- Standard SMILES
O=C(CCCl)OCCOc1ccc(C(=O)c2ccccc2)cc1- InChIKey
MGUQTTCXLGKFPS-UHFFFAOYSA-N- Molecular formula
- C18H17ClO4
- Average molar mass
- 332.8 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-propionic acid 2-(4-benzoylphenoxy)ethyl ester
- IUPAC
- 2-(4-benzoylphenoxy)ethyl 3-chloropropanoate
Names & synonyms
SCHEMBL3685290MGUQTTCXLGKFPS-UHFFFAOYSA-N3-chloro-propionic acid 2-(4-benzoylphenoxy)ethyl ester
Database identifiers
- PubChem CID
- 59609099
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 371
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Related reactions
2 records
Compound notes
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