4-Bromo-1-methoxy-2-(trifluoromethyl)benzene

C₈H₆BrF₃OCAS 1514-11-0255.03 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₈H₆BrF₃O
Molar mass: 255.03 g/mol
Exact mass: 253.9554 Da
logP: 3.48Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

1514-11-0

SMILES

COC1=C(C=C(C=C1)Br)C(F)(F)F

InChIKey

XTFPWZDSCKENBJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrF3O/c1-13-7-3-2-5(9)4-6(7)8(10,11)12/h2-4H,1H3

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

Names and synonyms

1 names

4-Methoxy-3-(trifluoromethyl)bromobenzene

Work with 4-Bromo-1-methoxy-2-(trifluoromethyl)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

4-(Bromomethyl)-1-methoxy-2-(trifluoromethyl)benzene261951-89-759 % similar Bromoveratrole2859-78-158 % similar 4-Bromo-2-fluoroanisole2357-52-056 % similar 5-Bromo-2-methoxyphenol37942-01-156 % similar 4-Bromo-2-(trifluoromethyl)aniline445-02-356 % similar 4-Methoxy-3-trifluoromethylbenzonitrile261951-87-555 % similar 4-Methoxy-3-(trifluoromethyl)benzaldehyde50823-87-555 % similar 1-Methoxy-4-nitro-2-(trifluoromethyl)benzene654-76-255 % similar

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

Same formula

1-(Bromomethyl)-3-(trifluoromethoxy)benzene159689-88-0 4-Trifluoromethoxybenzyl bromide50824-05-0

Elsewhere

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