chempirical

4-Chloro-2-iodoaniline

C6H5ClINCAS 63069-48-7253.47 g/mol

Open in Covalent MOL file
H2NClI
Aryl halidePrimary amine

Properties

Molecular formula
C6H5ClIN
Molar mass
253.47 g/mol
Exact mass
252.9155 Da
Melting point
40–41 °C
logP
2.53Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
63069-48-7
SMILES
Nc1ccc(Cl)cc1I
InChIKey
FLEJOBRWKBPUOX-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClIN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2

Weigh it out

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

Names and synonyms

5 names
  • Benzenamine, 4-chloro-2-iodo-
  • Aniline, 4-chloro-2-iodo-
  • 4-Chloro-2-iodobenzenamine
  • 2-Iodo-4-chloroaniline
  • (4-Chloro-2-iodophenyl)amine

Work with 4-Chloro-2-iodoaniline

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-Chloro-1,2-phenylenediamine95-83-060 % similar 4-Chloro-O-toluidine95-69-259 % similar 1,4-Dichloro-2-iodobenzene29682-41-556 % similar 2,4-Diiodobenzenamine533-70-056 % similar 2,4-Dichloroaniline554-00-756 % similar 4-Chloro-2-methylaniline hydrochloride3165-93-353 % similar 2-Amino-5-chlorophenol28443-50-752 % similar 2-Iodo-4-methylaniline29289-13-252 % 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 2-Chloro-4-iodobenzenamine42016-93-3 5-Chloro-2-iodobenzenamine6828-35-9 3-Chloro-2-iodoaniline70237-25-1

Elsewhere

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