chempirical

2-Bromo-3-fluoroaniline

C6H5BrFNCAS 111721-75-6190.02 g/mol

Open in Covalent MOL file
H2NFBr
Aryl halidePrimary amine

Properties

Molecular formula
C6H5BrFN
Molar mass
190.02 g/mol
Exact mass
188.9589 Da
Melting point
32–34 °C
logP
2.17Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
111721-75-6
SMILES
Nc1cccc(F)c1Br
InChIKey
XZRSXRUYZXBTGD-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrFN/c7-6-4(8)2-1-3-5(6)9/h1-3H,9H2

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

Names and synonyms

2 names
  • Benzenamine, 2-bromo-3-fluoro-
  • 2-Bromo-3-fluorobenzenamine

Work with 2-Bromo-3-fluoroaniline

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-difluorobenzene64248-56-265 % similar 2-Fluoroaniline348-54-956 % similar 2,3-Difluoroaniline4519-40-856 % similar 2-Bromo-3,4-difluoroaniline1092349-87-555 % similar 2-Chloro-3-fluorobenzenamine21397-08-054 % similar 3-Fluoro-2-methylaniline443-86-754 % similar 2-Bromo-3-fluorophenol443-81-252 % similar 2-Amino-6-fluorophenol53981-25-252 % similar

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

Same formula

2-Bromo-4-fluoroaniline1003-98-1 2-Bromo-5-fluorobenzenamine1003-99-2 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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