4-Bromo-2-(trifluoromethyl)phenol

C₇H₄BrF₃OCAS 50824-04-9241.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Phenol

Properties

Molecular formula: C₇H₄BrF₃O
Molar mass: 241.01 g/mol
Exact mass: 239.9398 Da
logP: 3.17Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

50824-04-9

SMILES

C1=CC(=C(C=C1Br)C(F)(F)F)O

InChIKey

PDPGERGWEOJVDC-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrF3O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H

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Names and synonyms

1 names

o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro-

Work with 4-Bromo-2-(trifluoromethyl)phenol

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

4-Fluoro-2-(trifluoromethyl)phenol130047-19-766 % similar 1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-262 % similar 4-Bromo-2-tert-butylphenol10323-39-460 % similar 5-Bromo-2-fluorobenzotrifluoride393-37-360 % similar 4-Bromo-1-iodo-2-(trifluoromethyl)benzene364-12-558 % similar 5-Bromo-2-chlorobenzotrifluoride445-01-258 % similar 4-Bromo-2-(trifluoromethyl)aniline445-02-358 % similar 4-Methyl-3-(trifluoromethyl)bromobenzene86845-27-458 % similar

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

Same formula

1-Bromo-3-(trifluoromethoxy)benzene2252-44-0 4-Bromo-3-(trifluoromethyl)phenol320-49-0 2-Bromo-5-(trifluoromethyl)phenol402-05-1 1-Bromo-4-(trifluoromethoxy)benzene407-14-7 2-(Trifluoromethoxy)bromobenzene64115-88-4 2-Bromo-4-(trifluoromethyl)phenol81107-97-3

Elsewhere

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