3-(3,5-Dichlorophenyl)-propionic acid tert-butyl ester

HCID 66965342

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

Related reactions

8 records

Compound notes

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