4-Iodoindole - CAS 81038-38-2

Catalog:	BB036601
Product Name:	4-Iodoindole
CAS:	81038-38-2
Synonyms:	4-iodo-1H-indole; 4-iodo-1H-indole

Technical Data

Patents

Computed Properties

IUPAC Name:	4-iodo-1H-indole
Description:	4-Iodoindole (CAS# 81038-38-2) is a reagent used in the preparation of aryl radicals as well as the synthesis of the myxobacterial natural product indiacen B.
Molecular Weight:	243.04
Molecular Formula:	C8H6IN
Canonical SMILES:	C1=CC2=C(C=CN2)C(=C1)I
InChI:	InChI=1S/C8H6IN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H
InChI Key:	XVRDITINKCASST-UHFFFAOYSA-N
MDL:	MFCD17168380
LogP:	2.77250

Publication Number	Title	Priority Date
CN-112028811-A	4-iodo-indole compound and preparation method thereof	20200527
CN-111423441-A	Halogenated indole matrine derivative with anti-tumor activity and preparation method and application thereof	20200320
CN-111423441-B	Halogenated indole matrine derivative with anti-tumor activity and preparation method and application thereof	20200320
WO-2021127561-A1	Isoindolinone and indazole compounds for the degradation of egfr	20191220
WO-2020210630-A1	Tricyclic degraders of ikaros and aiolos	20190412

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Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.9545
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.9545
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7