CAS 626-01-7 | 3-Iodoaniline | CAS Number 626-01-7

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626-01-7 | 3-Iodoaniline

CAS No: 626-01-7 Catalog No: AG0033QG MDL No:MFCD00007781

Product Description

Catalog Number:

AG0033QG

Chemical Name:

3-Iodoaniline

CAS Number:

626-01-7

Molecular Formula:

C6H6IN

Molecular Weight:

219.0230

MDL Number:

MFCD00007781

IUPAC Name:

3-iodoaniline

InChI:

InChI=1S/C6H6IN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2

InChI Key:

FFCSRWGYGMRBGD-UHFFFAOYSA-N

SMILES:

Nc1cccc(c1)I

EC Number:

210-922-7

NSC Number:

34545

Properties

Complexity:

74.9

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.954g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

219.025g/mol

Monoisotopic Mass:

218.954g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
(E)-1-[(3-Iodo-phen-yl)imino-meth-yl]naphthalen-2-ol.	Acta crystallographica. Section E, Structure reports online 20121001
Application of ynamides in the synthesis of 2-amidoindoles.	Organic letters 20090101
Radioiodination of humic substances via azocoupling with 3-[125I] iodoaniline.	Environmental science & technology 20080601
Ionic-liquid-promoted palladium-catalyzed multicomponent cyclocarbonylation of o-iodoanilines and allenes to form methylene-2,3-dihydro-1H-quinolin-4-ones.	The Journal of organic chemistry 20070427
3-iodoanilinium 2-carboxy-6-nitrobenzoate: a three-dimensional framework built from O-H...O and N-H...O hydrogen bonds and a two-centre iodo-nitro interaction.	Acta crystallographica. Section C, Crystal structure communications 20050401
Concise synthesis of (+/-)-horsfiline and (+/-)-coerulescine by tandem cyclisation of iodoaryl alkenyl azides.	Organic & biomolecular chemistry 20030107
Synthesis of novel alpha-C-glycosylamino acids and reverse regioselectivity in Larock's heteroannulation for the synthesis of the indole nucleus.	Bioscience, biotechnology, and biochemistry 20021001