chempirical

3-Bromo-5-fluorobenzotrifluoride

C7H3BrF4CAS 130723-13-6243.00 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
130723-13-6
SMILES
C1=C(C=C(C=C1F)Br)C(F)(F)F
InChIKey
LIGBGEJPUQBLTG-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF4/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H

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Work with 3-Bromo-5-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

1-Bromo-3,5-bis(trifluoromethyl)benzene328-70-171 % similar 1,3-Dibromo-5-(trifluoromethyl)benzene401-84-371 % similar 1,3-Dibromo-5-fluorobenzene1435-51-458 % similar 1-Bromo-3,5-difluorobenzene461-96-158 % similar 3-Bromo-5-(trifluoromethyl)aniline54962-75-357 % similar 3-Fluoro-5-trifluoromethylaniline454-67-153 % similar 1-Bromo-3-(trifluoromethyl)benzene401-78-550 % similar 3-Fluoro-5-(trifluoromethyl)benzenemethanamine150517-77-448 % similar

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

Same formula

2-Bromo-3-fluorobenzotrifluoride104540-42-3 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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