chempirical

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

C7H3BrF4OCAS 168971-68-4259.00 g/mol

Open in Covalent MOL file
OFFFFBr
Alkyl halideAryl halideEther

Properties

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

Identifiers

CAS number
168971-68-4
SMILES
C1=CC(=C(C=C1OC(F)(F)F)F)Br
InChIKey
KZMHSGBETSENAT-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF4O/c8-5-2-1-4(3-6(5)9)13-7(10,11)12/h1-3H

Weigh it out

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

Work with 1-Bromo-2-fluoro-4-(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-5-(trifluoromethoxy)phenol205371-26-262 % similar 4-Bromo-3-fluoroanisole408-50-458 % similar 1-Bromo-2-fluoro-4-methoxybenzene458-50-458 % similar 2-Bromo-4-trifluoromethoxyaniline175278-17-857 % similar 2-Fluoro-3-trifluoromethoxy aniline116369-23-454 % similar 4-Bromo-3-fluorobenzotrifluoride40161-54-452 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-750 % similar 2-Fluoro-5-(trifluoromethoxy)benzaldehyde886497-81-050 % 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-5-(trifluoromethoxy)benzene286932-57-8

Elsewhere

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