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Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC(CC#N)c1ccc(Cl)cc1- InChIKey
BJEPADOWHRPLDU-UHFFFAOYSA-N- Molecular formula
- C14H17ClN2O2
- Average molar mass
- 280.75 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 1-(4-chlorophenyl)-2-cyanoethylcarbamate
- IUPAC
- tert-butyl N-[1-(4-chlorophenyl)-2-cyanoethyl]carbamate
Names & synonyms
SCHEMBL391709BJEPADOWHRPLDU-UHFFFAOYSA-NDB-159297tert-butyl 1-(4-chlorophenyl)-2-cyanoethylcarbamateN-[1-(4-chlorophenyl)-2-cyanoethyl]carbamic acid 1,1-dimethylethyl ester1143534-16-0
Database identifiers
- PubChem CID
- 57750327
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Related reactions
6 records
Compound notes
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