Basic information
- Standard SMILES
Cc1cc(Br)ccc1C1CN(C(=O)OC(C)(C)C)C1- InChIKey
XWFSJIGKBWYDPD-UHFFFAOYSA-N- Molecular formula
- C15H20BrNO2
- Average molar mass
- 326.23 g/mol
- Monoisotopic mass
- 325.06774
Names & identifiers
- Preferred name
- Tert-butyl 3-(4-bromo-2-methylphenyl)azetidine-1-carboxylate
- IUPAC
- tert-butyl 3-(4-bromo-2-methylphenyl)azetidine-1-carboxylate
Names & synonyms
tert-butyl 3-(4-bromo-2-methylphenyl)azetidine-1-carboxylateSCHEMBL15168346XWFSJIGKBWYDPD-UHFFFAOYSA-NCS-428931374342-41-2
Database identifiers
- PubChem CID
- 86692010
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Related reactions
1 records
Compound notes
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