Name: Name:1H-Indole, 3-bromo-
Brand: Angene
SKU: AG001KWT
Rating: 90 (10 reviews)

1H-Indole, 3-bromo-

CAS No.:

1484-27-1

Catalog Number:

AG001KWT

Molecular Formula:

C8H6BrN

Molecular Weight:

196.0439

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Product Description

Catalog Number:

AG001KWT

Chemical Name:

1H-Indole, 3-bromo-

CAS Number:

1484-27-1

Molecular Formula:

C8H6BrN

Molecular Weight:

196.0439

MDL Number:

MFCD07369912

IUPAC Name:

3-bromo-1H-indole

InChI:

InChI=1S/C8H6BrN/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,10H

InChI Key:

YHIWBVHIGCRVLE-UHFFFAOYSA-N

SMILES:

Brc1c[nH]c2c1cccc2

Properties

Complexity:

126

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.968g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.047g/mol

Monoisotopic Mass:

194.968g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

15.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Enantioselective total synthesis of (+)-lysergic acid, (+)-lysergol, and (+)-isolysergol by palladium-catalyzed domino cyclization of allenes bearing amino and bromoindolyl groups.	The Journal of organic chemistry 20110401
Total synthesis of (+/-)-lysergic acid, lysergol, and isolysergol by palladium-catalyzed domino cyclization of amino allenes bearing a bromoindolyl group.	Organic letters 20081120

Properties