2-Hydroxy-3-bromo-4-methoxy-(1,1-dimethylethyl)benzaldehyde

HCID 19861815
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Basic information

Standard SMILES
COc1c(C(C)(C)C)cc(C=O)c(O)c1Br
InChIKey
JJWPRAWSHSZJRM-UHFFFAOYSA-N
Molecular formula
C12H15BrO3
Average molar mass
287.15 g/mol

Names & identifiers

Preferred name
2-Hydroxy-3-bromo-4-methoxy-(1,1-dimethylethyl)benzaldehyde
IUPAC
3-bromo-5-tert-butyl-2-hydroxy-4-methoxybenzaldehyde

Names & synonyms

SCHEMBL10333634JJWPRAWSHSZJRM-UHFFFAOYSA-N2-hydroxy-3-bromo-4-methoxy-(1,1-dimethylethyl)benzaldehyde

Database identifiers

PubChem CID
19861815

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
16

Related reactions

2 records
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Compound notes

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