tert-Butyl [(5-chloro-3'-cyano[1,1'-biphenyl]-2-yl)oxy]acetate
Basic information
- CAS
779331-72-5- Standard SMILES
CC(C)(C)OC(=O)COc1ccc(Cl)cc1-c1cccc(C#N)c1- InChIKey
QUGVULGLCMLOGR-UHFFFAOYSA-N- Molecular formula
- C19H18ClNO3
- Average molar mass
- 343.8 g/mol
- Monoisotopic mass
- 343.0975211
Names & identifiers
- Preferred name
- tert-Butyl [(5-chloro-3'-cyano[1,1'-biphenyl]-2-yl)oxy]acetate
- IUPAC
- tert-butyl 2-[4-chloro-2-(3-cyanophenyl)phenoxy]acetate
Names & synonyms
DTXSID801151272tert-Butyl [(5-chloro-3'-cyano[1,1'-biphenyl]-2-yl)oxy]acetate1,1-Dimethylethyl 2-[(5-chloro-3a(2)-cyano[1,1a(2)-biphenyl]-2-yl)oxy]acetate779331-72-5
Database identifiers
- CAS
779331-72-5- PubChem CID
- 90879639
- DTXSID
DTXSID801151272
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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