4-Chloro-5-fluoro-O-phenylenediamine

C₆H₆ClFN₂CAS 139512-70-2160.58 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₆ClFN₂
Molar mass: 160.58 g/mol
Exact mass: 160.0204 Da
logP: 1.64Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

139512-70-2

SMILES

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

InChIKey

BSMPRJISGCTCDC-UHFFFAOYSA-N

InChI

InChI=1S/C6H6ClFN2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2

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Names and synonyms

1 names

4-Chloro-5-fluoro-1,2-phenylenediamine

Work with 4-Chloro-5-fluoro-O-phenylenediamine

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

4,5-Dichloro-1,2-phenylenediamine5348-42-562 % similar 4,5-Difluoro-1,2-phenylenediamine76179-40-362 % similar 5-Chloro-4-fluoro-2-nitrobenzenamine104222-34-655 % similar 2,5-Dichloro-1,4-benzenediamine20103-09-755 % similar Methyl 2-amino-4-chloro-5-fluorobenzoate104901-79-351 % similar 2-Chloro-4-fluoro-5-methylaniline124185-35-950 % similar 3-Chloro-4-fluoroaniline367-21-550 % similar 4-Chloro-3-fluorobenzenamine367-22-650 % similar

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

Same formula

4-Chloro-6-ethyl-5-fluoropyrimidine137234-74-3

Elsewhere

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