2-Chloro-4-iodobenzenamine

C₆H₅ClINCAS 42016-93-3253.47 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₅ClIN
Molar mass: 253.47 g/mol
Exact mass: 252.9155 Da
Melting point: 71–72 °C
logP: 2.53Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

42016-93-3

SMILES

Nc1ccc(I)cc1Cl

InChIKey

MYDAOWXYGPEPJT-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClIN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 2-chloro-4-iodo-
2-Chloro-4-iodoaniline
NSC 137040
2-Chloro-4-iodo-phenylamine

Work with 2-Chloro-4-iodobenzenamine

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-Dichloro-4-iodobenzene20555-91-360 % similar 3,3'-Dichlorobenzidine91-94-158 % similar 2,4-Diiodobenzenamine533-70-056 % similar 2,4-Dichloroaniline554-00-756 % similar 2-Chloro-P-phenylenediamine615-66-756 % similar 4-Iodo-2-methylaniline13194-68-854 % similar 2-Chloro-4-methylaniline615-65-654 % similar 2-Chloro-4-iodo-1-methylbenzene83846-48-454 % similar

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

Same formula

3-Chloro-4-iodobenzenamine135050-44-1 2-Chloro-4-iodo-3-methylpyridine153034-88-9 4-Chloro-2-iodoaniline63069-48-7 5-Chloro-2-iodobenzenamine6828-35-9 3-Chloro-2-iodoaniline70237-25-1

Elsewhere

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