chempirical

2-Bromo-4-fluoroaniline

C6H5BrFNCAS 1003-98-1190.02 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
1003-98-1
SMILES
C1=CC(=C(C=C1F)Br)N
InChIKey
YLMFXCIATJJKQL-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2

Weigh it out

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Work with 2-Bromo-4-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

1,2-Dibromo-4-fluorobenzene2369-37-160 % similar 4-Fluoro-1,2-phenylenediamine367-31-760 % similar 2,4-Difluoroaniline367-25-956 % similar 1-Bromo-2,5-difluorobenzene399-94-056 % similar 2,4-Dibromoaniline615-57-656 % similar 2,6-Dibromo-4-fluoroaniline344-18-352 % similar 2-Bromo-4-fluorotoluene1422-53-352 % similar 2-Bromo-1-chloro-4-fluorobenzene201849-15-252 % similar

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

Same formula

2-Bromo-5-fluorobenzenamine1003-99-2 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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