3-Acetoxy-4-tert-butylbenzyl bromide

HCID 21458757
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Basic information

Standard SMILES
CC(=O)Oc1cc(CBr)ccc1C(C)(C)C
InChIKey
DQGAIGXWGXQYOO-UHFFFAOYSA-N
Molecular formula
C13H17BrO2
Average molar mass
285.18 g/mol

Names & identifiers

Preferred name
3-Acetoxy-4-tert-butylbenzyl bromide
IUPAC
[5-(bromomethyl)-2-tert-butylphenyl] acetate

Names & synonyms

SCHEMBL6044531DQGAIGXWGXQYOO-UHFFFAOYSA-N3-acetoxy-4-tert-butylbenzyl bromide3-Acetoxy-4-tert-butyl-benzyl bromide

Database identifiers

PubChem CID
21458757

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
16

Related reactions

10 records
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Compound notes

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