chempirical

2-Bromo-3-fluorobenzotrifluoride

C7H3BrF4CAS 104540-42-3243.00 g/mol

Open in Covalent MOL file
FBrFFF
Alkyl halideAryl halide

Properties

Molecular formula
C7H3BrF4
Molar mass
243.00 g/mol
Exact mass
241.9354 Da
logP
3.61Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
104540-42-3
SMILES
C1=CC(=C(C(=C1)F)Br)C(F)(F)F
InChIKey
UERAGXKMOXUWPC-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF4/c8-6-4(7(10,11)12)2-1-3-5(6)9/h1-3H

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Work with 2-Bromo-3-fluorobenzotrifluoride

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-1,3-bis(trifluoromethyl)benzene118527-30-372 % similar 2-Bromo-1,3-difluorobenzene64248-56-260 % similar 2-Fluorobenzotrifluoride392-85-859 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-559 % similar 2-Bromo-3-(trifluoromethyl)benzenamine58458-10-958 % similar 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene239087-08-255 % similar 2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-350 % similar 2-Bromo-3-fluoroaniline111721-75-648 % similar

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

Same formula

3-Bromo-5-fluorobenzotrifluoride130723-13-6 3-Bromo-2-fluorobenzotrifluoride144584-67-8 1-Bromo-3-fluoro-2-(trifluoromethyl)benzene261951-85-3 2-Bromo-4-fluoro-1-(trifluoromethyl)benzene351003-21-9 5-Bromo-2-fluorobenzotrifluoride393-37-3 2-Bromo-5-fluorobenzotrifluoride40161-55-5 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene53001-73-3

Elsewhere

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