Basic information
- Standard SMILES
CC(C)(C)OC(=O)CCc1cc(Cl)cc(Cl)c1- InChIKey
PPCBPIGNWICHGA-UHFFFAOYSA-N- Molecular formula
- C13H16Cl2O2
- Average molar mass
- 275.17 g/mol
Names & identifiers
- Preferred name
- 3-(3,5-Dichlorophenyl)-propionic acid tert-butyl ester
- IUPAC
- tert-butyl 3-(3,5-dichlorophenyl)propanoate
Names & synonyms
SCHEMBL1249462PPCBPIGNWICHGA-UHFFFAOYSA-NDB-160153tert-butyl 3-(3,5-dichlorophenyl)propanoate3-(3,5-Dichloro-phenyl)-propionic acid tert butyl ester3-(3,5-dichloro-phenyl)-propionic acid tert-butyl ester3-(3,5-dichlorophenyl)-propionic acid tert butyl ester3-(3,5-dichlorophenyl)-propionic acid tert-butyl ester1021165-99-0
Database identifiers
- PubChem CID
- 66965342
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Related reactions
8 records
Compound notes
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