Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)CBr- InChIKey
DTNHUDDLCVNQFM-UHFFFAOYSA-N- Molecular formula
- C15H19BrN2O5
- Average molar mass
- 387.23 g/mol
Names & identifiers
- Preferred name
- [3-Bromo-1-(4-nitro-benzyl)-2-oxo-propyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-bromo-1-(4-nitrophenyl)-3-oxobutan-2-yl]carbamate
Names & synonyms
SCHEMBL468113DTNHUDDLCVNQFM-UHFFFAOYSA-N[3-bromo-1-(4-nitro-benzyl)-2-oxo-propyl]-carbamic acid -tert-butyl ester[3-bromo-1-(4-nitro-benzyl)-2-oxo-propyl]-carbamic acid tert-butyl ester[3-bromo-1-(4-nitro-benzyl)-2-oxo-propyl]-carbamic acid-tert-butyl ester
Database identifiers
- PubChem CID
- 76068232
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 436
Related reactions
23 records
Compound notes
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