CAS 16886-10-5 | 1H-Indole, 3-(phenylmethyl)- | CAS Number 16886-10-5

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16886-10-5 | 1H-Indole, 3-(phenylmethyl)-

CAS No: 16886-10-5 Catalog No: AG001YCJ MDL No:

Product Description

Catalog Number:

AG001YCJ

Chemical Name:

1H-Indole, 3-(phenylmethyl)-

CAS Number:

16886-10-5

Molecular Formula:

C15H13N

Molecular Weight:

207.2704

IUPAC Name:

3-benzyl-1H-indole

InChI:

InChI=1S/C15H13N/c1-2-6-12(7-3-1)10-13-11-16-15-9-5-4-8-14(13)15/h1-9,11,16H,10H2

InChI Key:

HNUYRDWMYRCVNO-UHFFFAOYSA-N

SMILES:

c1ccc(cc1)Cc1c[nH]c2c1cccc2

Properties

Complexity:

220

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

207.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

207.276g/mol

Monoisotopic Mass:

207.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

15.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2

Literature

Title	Journal
Palladium-catalyzed C3-benzylation of indoles.	Journal of the American Chemical Society 20120111
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501