Name: Name:(E)-3-(6-Fluoro-1H-Indol-3-Yl)Acrylonitrile
Brand: Angene
SKU: AG019EXA
Rating: 90 (10 reviews)

(E)-3-(6-Fluoro-1H-Indol-3-Yl)Acrylonitrile

CAS No.:

1316695-32-5

Catalog Number:

AG019EXA

Molecular Formula:

C11H7FN2

Molecular Weight:

186.1851

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG019EXA

Chemical Name:

(E)-3-(6-Fluoro-1H-Indol-3-Yl)Acrylonitrile

CAS Number:

1316695-32-5

Molecular Formula:

C11H7FN2

Molecular Weight:

186.1851

IUPAC Name:

(E)-3-(6-fluoro-1H-indol-3-yl)prop-2-enenitrile

InChI:

InChI=1S/C11H7FN2/c12-9-3-4-10-8(2-1-5-13)7-14-11(10)6-9/h1-4,6-7,14H/b2-1+

InChI Key:

PXZIHGFKKGMRNQ-OWOJBTEDSA-N

SMILES:

N#C/C=C/c1c[nH]c2c1ccc(c2)F

Properties

Complexity:

278

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

186.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

186.189g/mol

Monoisotopic Mass:

186.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

39.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Tryptophan 2,3-dioxygenase (TDO) inhibitors. 3-(2-(pyridyl)ethenyl)indoles as potential anticancer immunomodulators.	Journal of medicinal chemistry 20110811