CAS 232-84-8 | 3H-Benz[e]indole | CAS Number 232-84-8

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232-84-8 | 3H-Benz[e]indole

CAS No: 232-84-8 Catalog No: AG002MIA MDL No:

Product Description

Catalog Number:

AG002MIA

Chemical Name:

3H-Benz[e]indole

CAS Number:

232-84-8

Molecular Formula:

C12H9N

Molecular Weight:

167.2066

IUPAC Name:

3H-benzo[e]indole

InChI:

InChI=1S/C12H9N/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12/h1-8,13H

InChI Key:

ALGIYXGLGIECNT-UHFFFAOYSA-N

SMILES:

c1ccc2c(c1)ccc1c2cc[nH]1

Properties

Complexity:

190

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

167.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.211g/mol

Monoisotopic Mass:

167.073g/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
Synthesis and characterization of a heteroleptic Ru(II) complex of phenanthroline containing oligo-anthracenyl carboxylic acid moieties.	International journal of molecular sciences 20100101
Recent advances in the development of dopamine D(3) receptor agonists and antagonists.	Mini reviews in medicinal chemistry 20010501