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

C₈H₆BrF₃OCAS 400-72-6255.03 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

400-72-6

SMILES

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

InChIKey

NSGGOSHNRGWKCM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Bromo-5-methoxybenzotrifluoride

Work with 1-Bromo-4-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-Fluoro-3-(trifluoromethyl)anisole127271-65-262 % similar 4-Chloro-3-(trifluoromethyl)anisole400-73-760 % similar 2-Bromo-5-methylbenzotrifluoride261952-20-956 % similar 4-Bromo-3-fluoroanisole408-50-456 % similar 1-Bromo-2-fluoro-4-methoxybenzene458-50-456 % similar 4-Methoxy-2-(trifluoromethyl)benzaldehyde106312-36-155 % similar 4-Methoxy-2-(trifluoromethyl)phenylboronic acid313546-16-655 % similar 1-Bromo-2,4-dimethoxybenzene17715-69-455 % 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 4-Trifluoromethoxybenzyl bromide50824-05-0

Elsewhere

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