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2-(4-Bromo-2,6-dimethylphenyl)-2,2-difluoroethanol

HCID 118098677
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1cc(Br)cc(C)c1C(F)(F)CO
InChIKey
WHOYIXVKMFWMNP-UHFFFAOYSA-N
Molecular formula
C10H11BrF2O
Average molar mass
265.09 g/mol

Names & identifiers

Preferred name
2-(4-Bromo-2,6-dimethylphenyl)-2,2-difluoroethanol
IUPAC
2-(4-bromo-2,6-dimethylphenyl)-2,2-difluoroethanol

Names & synonyms

2-(4-Bromo-2,6-dimethylphenyl)-2,2-difluoroethanolSCHEMBL16744594A1-605961508295-31-5

Database identifiers

PubChem CID
118098677

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
187

Related reactions

2 records
New reaction record
HRID 708805 reaction equation
HRID 708805As productuspto-grants-2015_11
HRID 708806 reaction equation
HRID 708806As reactantuspto-grants-2015_11

Compound notes

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