chempirical

3-Chloro-2-iodoaniline

C6H5ClINCAS 70237-25-1253.47 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
logP
2.53Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
70237-25-1
SMILES
Nc1cccc(Cl)c1I
InChIKey
NNVUXUJYVIVRKU-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClIN/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2

Weigh it out

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

Names and synonyms

3 names
  • Benzenamine, 3-chloro-2-iodo-
  • 3-Chloro-2-iodobenzenamine
  • 2-Iodo-3-chloroaniline

Work with 3-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

1,3-Dichloro-2-iodobenzene19230-28-564 % similar 2-Chloroaniline95-51-258 % similar 2,3-Dichloroaniline608-27-554 % similar o-Chloroaniline hydrochloride137-04-252 % similar 3-Chloro-2-methylaniline87-60-552 % similar 1-Chloro-3-fluoro-2-iodobenzene127654-70-050 % similar 3-Chloro-2-fluorobenzenamine2106-04-950 % similar 2,5-Dichloro-1,4-benzenediamine20103-09-746 % 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 4-Chloro-2-iodoaniline63069-48-7 5-Chloro-2-iodobenzenamine6828-35-9

Elsewhere

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