chempirical

2-Bromo-5-fluorobenzenamine

C6H5BrFNCAS 1003-99-2190.02 g/mol

Open in Covalent MOL file
NH2FBr
Aryl halidePrimary amine

Properties

Molecular formula
C6H5BrFN
Molar mass
190.02 g/mol
Exact mass
188.9589 Da
Boiling point
109–110 °C (at 15 Torr)
logP
2.17Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
1003-99-2
SMILES
Nc1cc(F)ccc1Br
InChIKey
FWTXFEKVHSFTDQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrFN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2

Weigh it out

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

Names and synonyms

4 names
  • Benzenamine, 2-bromo-5-fluoro-
  • Aniline, 2-bromo-5-fluoro-
  • 2-Bromo-5-fluoroaniline
  • 2-Bromo-5-fluorobenzeneamine

Work with 2-Bromo-5-fluorobenzenamine

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-fluorobenzene2369-37-160 % similar 4-Fluoro-1,2-phenylenediamine367-31-760 % similar 1-Bromo-2,4-difluorobenzene348-57-256 % similar 2,5-Dibromoaniline3638-73-156 % similar 2,5-Difluoroaniline367-30-656 % similar 3-Amino-4-bromophenol100367-37-152 % similar 1-Bromo-2-chloro-4-fluorobenzene110407-59-552 % similar 2-Bromo-5-fluorophenol147460-41-152 % similar

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

Same formula

2-Bromo-4-fluoroaniline1003-98-1 2-Bromo-3-fluoroaniline111721-75-6 4-Bromo-2-fluoro-3-methylpyridine128071-79-4 3-Bromo-5-fluoroaniline134168-97-1 3-Bromo-2-fluoro-5-methylpyridine17282-01-8 5-Bromo-2-fluorobenzenamine2924-09-6 4-Bromo-2-fluoroaniline367-24-8 6-Bromo-3-fluoro-2-methylpyridine374633-38-2

Elsewhere

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