Basic information
- Standard SMILES
CC(=O)c1ccc(Cl)cc1/C=C/C(=O)OC(C)(C)C- InChIKey
XCDIXYSMYYIVAT-VMPITWQZSA-N- Molecular formula
- C15H17ClO3
- Average molar mass
- 280.74 g/mol
Names & identifiers
- Preferred name
- (E)-tert-butyl 3-(2-acetyl-5-chlorophenyl)acrylate
- IUPAC
- tert-butyl (E)-3-(2-acetyl-5-chlorophenyl)prop-2-enoate
Names & synonyms
SCHEMBL14860918SCHEMBL30194560XCDIXYSMYYIVAT-VMPITWQZSA-N(E)-tert-butyl 3-(2-acetyl-5-chlorophenyl)acrylate
Database identifiers
- PubChem CID
- 89499883
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 368
Related reactions
6 records
Compound notes
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