Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC(c2cc(C#N)cc(N)c2Cl)C1- InChIKey
ZAOLSTLKPUAHLZ-UHFFFAOYSA-N- Molecular formula
- C15H18ClN3O2
- Average molar mass
- 307.77 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 3-(3-amino-2-chloro-5-cyanophenyl)azetidine-1-carboxylate
- IUPAC
- tert-butyl 3-(3-amino-2-chloro-5-cyanophenyl)azetidine-1-carboxylate
Names & synonyms
tert-butyl 3-(3-amino-2-chloro-5-cyanophenyl)azetidine-1-carboxylateSCHEMBL15409282ZAOLSTLKPUAHLZ-UHFFFAOYSA-NDB-1450591541255-28-0
Database identifiers
- PubChem CID
- 86708595
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 448
Related reactions
2 records
Compound notes
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