1-(3-Bromo-phenyl)-3-hydroxy-3-methyl-butan-2-one

HCID 69374151
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Basic information

Standard SMILES
CC(C)(O)C(=O)Cc1cccc(Br)c1
InChIKey
KBLNDHXWVLDSPV-UHFFFAOYSA-N
Molecular formula
C11H13BrO2
Average molar mass
257.12 g/mol

Names & identifiers

Preferred name
1-(3-Bromo-phenyl)-3-hydroxy-3-methyl-butan-2-one
IUPAC
1-(3-bromophenyl)-3-hydroxy-3-methylbutan-2-one

Names & synonyms

1-(3-Bromo-phenyl)-3-hydroxy-3-methyl-butan-2-oneSCHEMBL5257091KBLNDHXWVLDSPV-UHFFFAOYSA-N

Database identifiers

PubChem CID
69374151

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
14

Related reactions

2 records
New reaction record

Compound notes

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