chempirical

3-Bromo-5-fluoroaniline

C6H5BrFNCAS 134168-97-1190.02 g/mol

Open in Covalent MOL file
FBrNH2
Aryl halidePrimary amine

Properties

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

Identifiers

CAS number
134168-97-1
SMILES
C1=C(C=C(C=C1F)Br)N
InChIKey
NGZAVSDIXFIWHJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrFN/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2

Weigh it out

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

Names and synonyms

1 names
  • 3-Fluoro-5-bromoaniline

Work with 3-Bromo-5-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

1,3-Dibromo-5-fluorobenzene1435-51-464 % similar 3,5-Difluoroaniline372-39-464 % similar 1-Bromo-3,5-difluorobenzene461-96-164 % similar 1-Bromo-3-fluoro-5-methylbenzene202865-83-650 % similar 3-Chloro-5-fluorobenzenamine4863-91-650 % similar 3-Bromo-5-(trifluoromethyl)aniline54962-75-350 % similar 3-Bromo-5-methylbenzenamine74586-53-150 % similar 3-Bromo-5-fluorobenzotrifluoride130723-13-647 % 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 2-Bromo-3-fluoroaniline111721-75-6 4-Bromo-2-fluoro-3-methylpyridine128071-79-4 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

PubChem CAS Common Chemistry NIST WebBook