Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(Cc1cc(Cl)ccc1Br)C(=O)OC(C)(C)C- InChIKey
WRCILBSDFPEDOD-UHFFFAOYSA-N- Molecular formula
- C17H23BrClNO4
- Average molar mass
- 420.7 g/mol
Names & identifiers
- Preferred name
- N,N-bis(tert-butoxycarbonyl)-2-bromo-5-chlorobenzylamine
- IUPAC
- tert-butyl N-[(2-bromo-5-chlorophenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Names & synonyms
SCHEMBL1196792WRCILBSDFPEDOD-UHFFFAOYSA-NN,N-bis(tert-butoxycarbonyl)-2-bromo-5-chlorobenzylamine
Database identifiers
- PubChem CID
- 66938587
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 430
Related reactions
5 records
Compound notes
Loading…