2-Bromo-3',4'-bis(pivaloyloxy)acetophenone

HCID 12876187
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Basic information

Standard SMILES
CC(C)(C)C(=O)Oc1ccc(C(=O)CBr)cc1OC(=O)C(C)(C)C
InChIKey
DGHBXKAPOODQPA-UHFFFAOYSA-N
Molecular formula
C18H23BrO5
Average molar mass
399.3 g/mol
Monoisotopic mass
398.07289

Names & identifiers

Preferred name
2-Bromo-3',4'-bis(pivaloyloxy)acetophenone
IUPAC
[4-(2-bromoacetyl)-2-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate

Names & synonyms

SCHEMBL10842785DGHBXKAPOODQPA-UHFFFAOYSA-N2-bromo-3',4'-bis(pivaloyloxy)acetophenone

Database identifiers

PubChem CID
12876187

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
69.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
24

Related reactions

4 records
New reaction record

Compound notes

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