2-Bromo-5-(trifluoromethyl)benzyl alcohol

C₈H₆BrF₃OCAS 869725-53-1255.03 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₆BrF₃O
Molar mass: 255.03 g/mol
Exact mass: 253.9554 Da
logP: 2.96Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

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

869725-53-1

SMILES

C1=CC(=C(C=C1C(F)(F)F)CO)Br

InChIKey

RXASTJJSPATSHH-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3,13H,4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Bromo-5-(trifluoromethyl)benzyl alcohol

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

2-Bromo-5-(trifluoromethyl)benzyl bromide875664-32-767 % similar 2,5-Bis(trifluoromethyl)benzyl alcohol302911-97-364 % similar 2-Fluoro-5-(trifluoromethyl)benzyl alcohol207974-09-262 % similar 2-Chloro-5-(trifluoromethyl)benzyl alcohol64372-62-960 % similar 2-Iodo-5-(trifluoromethyl)benzyl alcohol702641-05-260 % similar 2,4-Bis(trifluoromethyl)benzyl alcohol143158-15-059 % similar 2-Fluoro-4-(trifluoromethyl)benzyl alcohol197239-49-957 % similar 2-Bromo-5-fluorobenzenemethanol202865-66-556 % similar

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

Same formula

4-Bromo-1-methoxy-2-(trifluoromethyl)benzene1514-11-0 1-(Bromomethyl)-3-(trifluoromethoxy)benzene159689-88-0 2-(Trifluoromethoxy)benzyl bromide198649-68-2 1-Bromo-4-methoxy-2-(trifluoromethyl)benzene400-72-6 4-Trifluoromethoxybenzyl bromide50824-05-0

Elsewhere

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