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540-37-4 | 4-Iodoaniline
CAS No: 540-37-4 Catalog No: AG00342T MDL No:MFCD00007848
Product Description
Catalog Number:
AG00342T
Chemical Name:
4-Iodoaniline
CAS Number:
540-37-4
Molecular Formula:
C6H6IN
Molecular Weight:
219.0230
MDL Number:
MFCD00007848
IUPAC Name:
4-iodoaniline
InChI:
InChI=1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
InChI Key:
VLVCDUSVTXIWGW-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)I
EC Number:
208-743-4
UNII:
0BMK56397B
NSC Number:
9246
Properties
Complexity:
66.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.954g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.025g/mol
Monoisotopic Mass:
218.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Differentiation of complex lipid isomers by radical-directed dissociation mass spectrometry. | Analytical chemistry 20120904 |
| In situ synthesis of thermochemically reduced graphene oxide conducting nanocomposites. | Nano letters 20120411 |
| Consequence of one-electron oxidation and one-electron reduction for aniline. | Journal of molecular modeling 20111201 |
| 4-Iodo-anilinium perchlorate 18-crown-6 clathrate. | Acta crystallographica. Section E, Structure reports online 20110301 |
| (E)-2-[(4-Iodo-phen-yl)imino-meth-yl]-6-methyl-phenol. | Acta crystallographica. Section E, Structure reports online 20100701 |
| 4-Iodo-anilinium nitrate. | Acta crystallographica. Section E, Structure reports online 20100601 |
| 4-Iodo-anilinium perchlorate. | Acta crystallographica. Section E, Structure reports online 20100401 |
| 2,4-Diiodo-aniline. | Acta crystallographica. Section E, Structure reports online 20090901 |
| 2-Chloro-4-iodo-aniline. | Acta crystallographica. Section E, Structure reports online 20081201 |
| 2-Iodo-N-(2-nitro-phenyl-sulfan-yl)aniline. | Acta crystallographica. Section E, Structure reports online 20080801 |
| Mouse N-acetyltransferase type 2, the homologue of human N-acetyltransferase type 1. | Biochemical pharmacology 20080401 |
| Sorption and transport of iodine species in sediments from the Savannah River and Hanford Sites. | Journal of contaminant hydrology 20050701 |
| In situ electrochemical ESR and voltammetric studies on the anodic oxidation of para-haloanilines in acetonitrile. | The journal of physical chemistry. B 20050630 |
| Supramolecular structures of four isomorphous anilinium 2-carboxy-4-nitrobenzoate salts: 4-X-C6H4NH3+.C8H4NO6- (X = H, Cl, Br and I). | Acta crystallographica. Section C, Crystal structure communications 20050501 |
| Eukaryotic arylamine N-acetyltransferase. Investigation of substrate specificity by high-throughput screening. | Biochemical pharmacology 20050115 |
| 4-iodoanilinium 3-nitrophthalate(1-): tripartite sheets built from O-H...O and N-H...O hydrogen bonds. | Acta crystallographica. Section C, Crystal structure communications 20030901 |
| Potential of neurotoxicity after a single oral dose of 4-bromo-, 4-chloro-, 4-fluoro- or 4-iodoaniline in rats. | Journal of applied toxicology : JAT 20030101 |
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