chempirical

1-Bromo-2,5-difluorobenzene

C6H3BrF2CAS 399-94-0192.99 g/mol

Open in Covalent MOL file
FFBr
Aryl halide

Properties

Molecular formula
C6H3BrF2
Molar mass
192.99 g/mol
Exact mass
191.9386 Da
Melting point
−31.5 °C
Boiling point
58–58.5 °C (at 20 Torr)
logP
2.73Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
399-94-0
SMILES
Fc1ccc(F)c(Br)c1
InChIKey
XCRCSPKQEDMVBO-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrF2/c7-5-3-4(8)1-2-6(5)9/h1-3H

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 2-bromo-1,4-difluoro-
  • 2-Bromo-1,4-difluorobenzene
  • 2,5-Difluoro-1-bromobenzene
  • 2,5-Difluorobromobenzene
  • NSC 10250

Work with 1-Bromo-2,5-difluorobenzene

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

1,2-Dibromo-4-fluorobenzene2369-37-165 % similar 2,4-Dibromo-1-fluorobenzene1435-53-660 % similar 1,2,4-Trifluorobenzene367-23-757 % similar 2-Bromo-4-fluorotoluene1422-53-356 % similar 2-Bromo-4-chloro-1-fluorobenzene1996-30-156 % similar 2-Bromo-1-chloro-4-fluorobenzene201849-15-256 % similar 2-Bromo-4-fluoro-1-iodobenzene202865-73-456 % similar 2-Bromo-1-fluoro-4-methylbenzene452-62-056 % similar

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

Same formula

1-Bromo-2,4-difluorobenzene348-57-2 1-Bromo-3,4-difluorobenzene348-61-8 1-Bromo-2,3-difluorobenzene38573-88-5 1-Bromo-3,5-difluorobenzene461-96-1 2-Bromo-1,3-difluorobenzene64248-56-2

Elsewhere

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