chempirical

5-Chloro-2-iodobenzenamine

C6H5ClINCAS 6828-35-9253.47 g/mol

Open in Covalent MOL file
NH2ClI
Aryl halidePrimary amine

Properties

Molecular formula
C6H5ClIN
Molar mass
253.47 g/mol
Exact mass
252.9155 Da
Melting point
64–66 °C
logP
2.53Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
6828-35-9
SMILES
Nc1cc(Cl)ccc1I
InChIKey
FEOMAFDDLHSVMO-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClIN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2

Weigh it out

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

Names and synonyms

4 names
  • Benzenamine, 5-chloro-2-iodo-
  • Aniline, 5-chloro-2-iodo-
  • 5-Chloro-2-iodoaniline
  • 3-Chloro-6-iodoaniline

Work with 5-Chloro-2-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

4-Chloro-1,2-phenylenediamine95-83-060 % similar 5-Chloro-2-methylaniline95-79-457 % similar 2,4-Dichloro-1-iodobenzene29898-32-656 % similar 2,5-Dichloroaniline95-82-956 % similar 4-Chloro-O-toluidine95-69-254 % similar 2-Amino-4-chlorothiophenol1004-00-852 % similar 2-Iodo-5-methylbenzenamine13194-69-952 % similar 5-Chloro-2-fluoroaniline2106-05-052 % 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 3-Chloro-2-iodoaniline70237-25-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook