3,5-Dichloro-4-fluorobenzenamine

C₆H₄Cl₂FNCAS 2729-34-2180.00 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₄Cl₂FN
Molar mass: 180.00 g/mol
Exact mass: 178.9705 Da
logP: 2.71Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

2729-34-2

SMILES

Nc1cc(Cl)c(F)c(Cl)c1

InChIKey

NKTZSKQMAITPBQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl2FN/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 3,5-dichloro-4-fluoro-
Aniline, 3,5-dichloro-4-fluoro-
3,5-Dichloro-4-fluoroaniline
3,5-Dichloro-4-fluorophenylamine

Work with 3,5-Dichloro-4-fluorobenzenamine

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-Dichloro-2,5-difluorobenzene2367-80-857 % similar 2,6-Dichloro-1,4-benzenediamine609-20-157 % similar 3,4,5-Trichloroaniline634-91-357 % similar 1,3-Dichloro-2-fluorobenzene2268-05-555 % similar 5-Bromo-1,3-dichloro-2-fluorobenzene17318-08-052 % similar 4-Amino-2,6-dichlorophenol5930-28-952 % similar 3-Chloro-4-fluoroaniline367-21-552 % similar 3,4,5-Trifluorobenzenamine163733-96-850 % similar

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

Same formula

2,6-Dichloro-4-fluorobenzenamine344-19-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook