CAS 286949-65-3 | 1H-Indole, 2,5,6-trichloro- | CAS Number 286949-65-3

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286949-65-3 | 1H-Indole, 2,5,6-trichloro-

CAS No: 286949-65-3 Catalog No: AG002W48 MDL No:

Product Description

Catalog Number:

AG002W48

Chemical Name:

1H-Indole, 2,5,6-trichloro-

CAS Number:

286949-65-3

Molecular Formula:

C8H4Cl3N

Molecular Weight:

220.4831

IUPAC Name:

2,5,6-trichloro-1H-indole

InChI:

InChI=1S/C8H4Cl3N/c9-5-1-4-2-8(11)12-7(4)3-6(5)10/h1-3,12H

InChI Key:

BNBOKCJLKBLBQD-UHFFFAOYSA-N

SMILES:

Clc1[nH]c2c(c1)cc(c(c2)Cl)Cl

Properties

Complexity:

176

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.941g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.477g/mol

Monoisotopic Mass:

218.941g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

15.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3

Literature

Title	Journal
Design, synthesis, and antiviral activity of certain 3-substituted 2,5,6-trichloroindole nucleosides.	Journal of medicinal chemistry 20041104
Synthesis, antiviral activity, and mode of action of some 3-substituted 2,5,6-trichloroindole 2'- and 5'-deoxyribonucleosides.	Journal of medicinal chemistry 20041104