Name: Name:1H-Indole-3-acetonitrile, 4-chloro-
Brand: Angene
SKU: AG002O90
Rating: 90 (10 reviews)

1H-Indole-3-acetonitrile, 4-chloro-

CAS No.:

2447-15-6

Catalog Number:

AG002O90

Molecular Formula:

C10H7ClN2

Molecular Weight:

190.6290

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG002O90

Chemical Name:

1H-Indole-3-acetonitrile, 4-chloro-

CAS Number:

2447-15-6

Molecular Formula:

C10H7ClN2

Molecular Weight:

190.6290

MDL Number:

MFCD00971681

IUPAC Name:

2-(4-chloro-1H-indol-3-yl)acetonitrile

InChI:

InChI=1S/C10H7ClN2/c11-8-2-1-3-9-10(8)7(4-5-12)6-13-9/h1-3,6,13H,4H2

InChI Key:

GCFQUQOQJAOLHL-UHFFFAOYSA-N

SMILES:

N#CCc1c[nH]c2c1c(Cl)ccc2

Properties

Complexity:

232

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

190.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

190.63g/mol

Monoisotopic Mass:

190.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

39.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
2-(4-Chloro-1H-indol-3-yl)acetonitrile.	Acta crystallographica. Section E, Structure reports online 20120101

Properties