4-Bromo-2,6-difluoro-1-(benzyloxy)benzene

HCID 14207641

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Fc1cc(Br)cc(F)c1OCc1ccccc1
InChIKey: JRHDYZBRIBFWGS-UHFFFAOYSA-N
Molecular formula: C13H9BrF2O
Average molar mass: 299.11 g/mol
Monoisotopic mass: 297.98048

Names & identifiers

Preferred name: 4-Bromo-2,6-difluoro-1-(benzyloxy)benzene
IUPAC: 5-bromo-1,3-difluoro-2-phenylmethoxybenzene

Names & synonyms

99045-18-84-Bromo-2,6-difluoro-1-(benzyloxy)benzene1-Bromo-4-benzyloxy-3,5-difluorobenzeneBenzene, 5-bromo-1,3-difluoro-2-(phenylmethoxy)-5-Bromo-1,3-Difluoro-2-(Phenylmethoxy)-BenzeneMFCD162952631-bromo-3,5-difluoro-4-(benzyloxy)benzene2-(benzyloxy)-5-bromo-1,3-difluorobenzene5-bromo-1,3-difluoro-2-phenylmethoxybenzeneSCHEMBL1017228JRHDYZBRIBFWGS-UHFFFAOYSA-N4-Benzyloxy-3,5-difluorobromobenzene

Show more names

4-benzyloxy-3,5-difluoro-bromobenzeneAKOS024438280AS-333682-benzyloxy-5-bromo-1,3-difluoro-benzeneDB-216032CS-01953284-bromo-2,6-difluorophenyl phenylmethyl etherF401162

Database identifiers

PubChem CID: 14207641

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 221

Related reactions

12 records

New reaction record

HRID 157845As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 195797As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 477413As productuspto-grants-1989_12

HRID 477414As reactantuspto-grants-1989_12

HRID 579907As productuspto-grants-1988_06

HRID 579908As reactantuspto-grants-1988_06

HRID 1133191As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1386730As productuspto-grants-2001_07

Compound notes

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