Name: Name:2-Propenenitrile, 3-(4-chlorophenyl)-, (2E)-
Brand: Angene
SKU: AG007JH5
Rating: 90 (10 reviews)

2-Propenenitrile, 3-(4-chlorophenyl)-, (2E)-

CAS No.:

14378-04-2

Catalog Number:

AG007JH5

Molecular Formula:

C9H6ClN

Molecular Weight:

163.6036

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Product Description

Catalog Number:

AG007JH5

Chemical Name:

2-Propenenitrile, 3-(4-chlorophenyl)-, (2E)-

CAS Number:

14378-04-2

Molecular Formula:

C9H6ClN

Molecular Weight:

163.6036

MDL Number:

MFCD00001932

IUPAC Name:

3-(4-chlorophenyl)prop-2-enenitrile

InChI:

InChI=1S/C9H6ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6H

InChI Key:

PPCNBCKABHGVMX-UHFFFAOYSA-N

SMILES:

N#C/C=C/c1ccc(cc1)Cl

Properties

Complexity:

181

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

163.019g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

163.604g/mol

Monoisotopic Mass:

163.019g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

23.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
A novel and expedient approach to new thiazoles, thiazolo[3,2-a]pyridines, dihydrothiophenes, and hydrazones incorporating thieno[2,3-b]thiophene moiety.	International journal of molecular sciences 20120101