1-Bromo-2-fluoro-5-(trifluoromethoxy)benzene

C₇H₃BrF₄OCAS 286932-57-8259.00 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₃BrF₄O
Molar mass: 259.00 g/mol
Exact mass: 257.9303 Da
logP: 3.49Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

286932-57-8

SMILES

C1=CC(=C(C=C1OC(F)(F)F)Br)F

InChIKey

VVVFPEJORKPEST-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrF4O/c8-5-3-4(1-2-6(5)9)13-7(10,11)12/h1-3H

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

Names and synonyms

1 names

2-Bromo-1-fluoro-4-(trifluoromethoxy)benzene

Work with 1-Bromo-2-fluoro-5-(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

2-Bromo-4-trifluoromethoxyaniline175278-17-862 % similar 2-Fluoro-3-trifluoromethoxy aniline116369-23-459 % similar 3-Bromo-4-fluoroanisole1161497-23-958 % similar 2-Bromo-5-(trifluoromethoxy)phenol205371-26-257 % similar 2-Fluoro-5-(trifluoromethoxy)benzaldehyde886497-81-054 % similar 2,6-Dibromo-4-trifluoromethoxyaniline88149-49-953 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-750 % similar 1-Bromo-3-(trifluoromethoxy)benzene2252-44-049 % similar

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

Same formula

4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene105529-58-6 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene168971-68-4

Elsewhere

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