[3-Bromo-1-(4-nitro-benzyl)-2-oxo-propyl]-carbamic acid tert-butyl ester

HCID 76068232

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

Related reactions

23 records

Compound notes

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