1-(7-Bromo-benzo[1,3]dioxol-5-yl)-2-methyl-propan-1-ol

HCID 18445394
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Basic information

Standard SMILES
CC(C)C(O)c1cc(Br)c2c(c1)OCO2
InChIKey
PHKOWTNHUGKMNE-UHFFFAOYSA-N
Molecular formula
C11H13BrO3
Average molar mass
273.12 g/mol
Monoisotopic mass
272.00481

Names & identifiers

Preferred name
1-(7-Bromo-benzo[1,3]dioxol-5-yl)-2-methyl-propan-1-ol
IUPAC
1-(7-bromo-1,3-benzodioxol-5-yl)-2-methylpropan-1-ol

Names & synonyms

SCHEMBL5658361PHKOWTNHUGKMNE-UHFFFAOYSA-NAKOS0132097081-(7-bromo-benzo[1,3]dioxol-5-yl)-2-methyl-propan-1-ol

Database identifiers

PubChem CID
18445394

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15

Related reactions

4 records
New reaction record

Compound notes

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