chempirical

1,3-Dibromo-5-(trifluoromethoxy)benzene

C7H3Br2F3OCAS 207226-31-1319.90 g/mol

Open in Covalent MOL file
BrBrOFFF
Alkyl halideAryl halideEther

Properties

Molecular formula
C7H3Br2F3O
Molar mass
319.90 g/mol
Exact mass
317.8503 Da
logP
4.11Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
207226-31-1
SMILES
C1=C(C=C(C=C1Br)Br)OC(F)(F)F
InChIKey
UKHOUWWEEAOCTI-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Br2F3O/c8-4-1-5(9)3-6(2-4)13-7(10,11)12/h1-3H

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Work with 1,3-Dibromo-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

1-Bromo-3-(trifluoromethoxy)benzene2252-44-064 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-762 % similar 3-Bromo-5-(trifluoromethoxy)benzoicacid453565-90-761 % similar 2,6-Dibromo-4-trifluoromethoxyaniline88149-49-953 % similar 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene105529-58-647 % similar 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene168971-68-445 % similar 1-Bromo-2-fluoro-5-(trifluoromethoxy)benzene286932-57-845 % similar 1,3-Dibromo-5-(trifluoromethyl)benzene401-84-344 % similar

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

Elsewhere

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