2-Chloro-4,5-difluoroaniline

C₆H₄ClF₂NCAS 2613-32-3163.55 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₄ClF₂N
Molar mass: 163.55 g/mol
Exact mass: 163.0000 Da
logP: 2.20Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

2613-32-3

SMILES

C1=C(C(=CC(=C1F)F)Cl)N

InChIKey

ZNDPHOPPLHZBMV-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClF2N/c7-3-1-4(8)5(9)2-6(3)10/h1-2H,10H2

Weigh it out

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

Work with 2-Chloro-4,5-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

2,4-Dichloro-5-fluoroaniline348-64-178 % similar 2-Chloro-4-fluoro-5-methylaniline124185-35-967 % similar 4-Chloro-5-fluoro-O-phenylenediamine139512-70-267 % similar 2,5-Dichloro-1,4-benzenediamine20103-09-762 % similar 4,5-Difluoro-1,2-phenylenediamine76179-40-362 % similar 2,4,5-Trifluoroaniline367-34-057 % similar 2,4,5-Trichloroaniline636-30-657 % similar 5-Amino-2-chloro-4-fluorophenol84478-72-855 % similar

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

Same formula

2-Chloro-4,6-difluoroaniline36556-56-6 2-Chloro-3,5-difluoroaniline36556-60-2 4-Chloro-2,6-difluorobenzenamine69411-06-9

Elsewhere

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