5,6-Dibromo-1H-indole - CAS 854923-38-9

Catalog:	BB037636
Product Name:	5,6-Dibromo-1H-indole
CAS:	854923-38-9
Synonyms:	5,6-dibromo-1H-indole; 5,6-dibromo-1H-indole

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Computed Properties

IUPAC Name:	5,6-dibromo-1H-indole
Description:	5,6-Dibromo-1H-indole (CAS# 854923-38-9 ) is a useful research chemical.
Molecular Weight:	274.94
Molecular Formula:	C8H5Br2N
Canonical SMILES:	C1=CNC2=CC(=C(C=C21)Br)Br
InChI:	InChI=1S/C8H5Br2N/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
InChI Key:	RXYMGJXOXIECHX-UHFFFAOYSA-N
LogP:	3.69290

Publication Number	Title	Priority Date
WO-2012016487-A1	Ptp1b inhibitors, synthesis thereof and application thereof in preparation of medicaments for treating type 2 diabetes mellitus	20100806
CN-1233630-C	N-substituted indole derivative preparation method	20031110
CN-1544419-A	N-substituted indole derivative preparation method	20031110
EP-1436411-A2	Chromogenic enzyme substrates and method for detecting beta-d-ribofuranosidase activity	20011024
EP-1436411-B1	Chromogenic enzyme substrates and method for detecting beta-d-ribofuranosidase activity	20011024

PMID	Publication Date	Title	Journal
21643565	20110721	Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles	Organic & biomolecular chemistry

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Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	274.87682
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	272.87887
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4