Basic information
- Standard SMILES
CC(C)(C)OC(=O)C1CN(Cc2ccc(C#N)c(Cl)c2)C1- InChIKey
ULZAZUVUGPWREE-UHFFFAOYSA-N- Molecular formula
- C16H19ClN2O2
- Average molar mass
- 306.79 g/mol
- Monoisotopic mass
- 306.1135055
Names & identifiers
- Preferred name
- Tert-butyl 1-(3-chloro-4-cyanobenzyl)azetidine-3-carboxylate
- IUPAC
- tert-butyl 1-[(3-chloro-4-cyanophenyl)methyl]azetidine-3-carboxylate
Names & synonyms
SCHEMBL2573548ULZAZUVUGPWREE-UHFFFAOYSA-Ntert-butyl 1-(3-chloro-4-cyanobenzyl)azetidine-3-carboxylate
Database identifiers
- PubChem CID
- 58537201
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 431
Related reactions
3 records
Compound notes
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