1-Bromo-3-(trifluoromethoxy)benzene

C₇H₄BrF₃OCAS 2252-44-0241.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₄BrF₃O
Molar mass: 241.01 g/mol
Exact mass: 239.9398 Da
logP: 3.35Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

2252-44-0

SMILES

FC(F)(F)Oc1cccc(Br)c1

InChIKey

WVUDHWBCPSXAFN-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

7 names

Benzene, 1-bromo-3-(trifluoromethoxy)-
Anisole, m-bromo-α,α,α-trifluoro-
m-Bromo(trifluoromethoxy)benzene
m-Bromophenyl trifluoromethyl ether
1-Bromo-3-trifluoromethoxybenzene
3-(Trifluoromethoxy)bromobenzene
1-Bromo-3-[(trifluoromethyl)oxy]benzene

Work with 1-Bromo-3-(trifluoromethoxy)benzene

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-(Trifluoromethoxy)fluorobenzene1077-01-660 % similar 3-(Trifluoromethoxy)benzenethiol220239-66-758 % similar 3-(Trifluoromethoxy)aniline1535-73-556 % similar (Trifluoromethoxy)benzene456-55-354 % similar 3-Bromoanisole2398-37-052 % similar 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene105529-58-650 % similar 1-Bromo-3-(4-fluorophenoxy)benzene50904-38-649 % similar 2-(3-(Trifluoromethoxy)phenyl)acetonitrile108307-56-847 % similar

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

Same formula

1-Bromo-4-(trifluoromethoxy)benzene407-14-7

Elsewhere

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