2-Bromo-3,4-difluoroaniline

C₆H₄BrF₂NCAS 1092349-87-5208.01 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₄BrF₂N
Molar mass: 208.01 g/mol
Exact mass: 206.9495 Da
logP: 2.31Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

1092349-87-5

SMILES

C1=CC(=C(C(=C1N)Br)F)F

InChIKey

ZGZURPPCPVPDMX-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrF2N/c7-5-4(10)2-1-3(8)6(5)9/h1-2H,10H2

Weigh it out

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

Work with 2-Bromo-3,4-difluoroaniline

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

2,3,4-Trifluoroaniline3862-73-562 % similar 2-Bromo-3-fluoroaniline111721-75-655 % similar 2,3-Difluoroaniline4519-40-848 % similar 3-Bromo-1,2,4,5-tetrafluorobenzene1559-88-248 % similar 1,2,3,4-Tetrafluorobenzene551-62-246 % similar 5-Bromo-2-fluorobenzenamine2924-09-645 % similar 4-Bromo-2-fluoroaniline367-24-845 % similar 3-Bromo-2-fluorobenzenamine58534-95-542 % similar

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

Same formula

4-Bromo-2,5-difluoroaniline112279-60-4 4-Bromo-2,3-difluorobenzenamine112279-72-8 2-Bromo-4,6-difluorobenzenamine444-14-4 3-Bromo-4,5-difluorobenzenamine875664-41-8

Elsewhere

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