chempirical

3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene

C7H3BrF4CAS 53001-73-3243.00 g/mol

Open in Covalent MOL file
FFFBrF
Alkyl halideAryl halide

Properties

Molecular formula
C7H3BrF4
Molar mass
243.00 g/mol
Exact mass
241.9354 Da
logP
3.14Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
53001-73-3
SMILES
Fc1cc(F)c(F)c(CBr)c1F
InChIKey
QHZBSXQCGIQSID-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF4/c8-2-3-6(11)4(9)1-5(10)7(3)12/h1H,2H2

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Names and synonyms

2 names
  • Benzene, 3-(bromomethyl)-1,2,4,5-tetrafluoro-
  • 2,3,5,6-Tetrafluorobenzyl bromide

Work with 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene

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

3,4,5-Trifluorobenzyl bromide220141-72-060 % similar 2,3,5,6-Tetrafluorobenzyl alcohol4084-38-254 % similar Pentafluorobenzene363-72-450 % similar 2,6-Difluorobenzyl bromide85118-00-950 % similar 2-(Bromomethyl)-4-chloro-1,3-difluorobenzene261762-47-448 % similar 3-Bromo-1,2,4,5-tetrafluorobenzene1559-88-248 % similar 2,2′,3,3′,5,5′,6,6′-Octafluoro-1,1′-biphenyl3883-86-148 % similar 2,3-Difluorobenzyl bromide113211-94-245 % similar

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

Same formula

2-Bromo-3-fluorobenzotrifluoride104540-42-3 3-Bromo-5-fluorobenzotrifluoride130723-13-6 4-Bromo-2-fluorobenzotrifluoride142808-15-9 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

Elsewhere

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