chempirical

4-Bromo-3-fluorophenol

C6H4BrFOCAS 121219-03-2191.00 g/mol

Open in Covalent MOL file
HOFBr
Aryl halidePhenol

Properties

Molecular formula
C6H4BrFO
Molar mass
191.00 g/mol
Exact mass
189.9430 Da
logP
2.29Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
121219-03-2
SMILES
C1=CC(=C(C=C1O)F)Br
InChIKey
MRQYTJXVULSNIS-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrFO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H

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Work with 4-Bromo-3-fluorophenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Difluorophenol2713-33-960 % similar 1-Bromo-2,4-difluorobenzene348-57-256 % similar 4-Bromoresorcinol6626-15-956 % similar 4-Bromo-3,5-difluorophenol130191-91-252 % similar 3-Amino-4-bromophenol100367-37-152 % similar 4-Bromo-3-chlorophenol13631-21-552 % similar 4-Bromo-3-methylphenol14472-14-152 % similar 4-Chloro-3-fluorophenol348-60-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Bromo-2-fluorophenol112204-58-7 2-Bromo-5-fluorophenol147460-41-1 2-Bromo-6-fluorophenol2040-89-3 4-Bromo-2-fluorophenol2105-94-4 2-Bromo-3-fluorophenol443-81-2 2-Bromo-4-fluorophenol496-69-5

Elsewhere

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