Name: Name:2-(2-chlorophenyl)-3-oxo-3-(pyridin-3-yl)propanenitrile
Brand: Angene
SKU: AG01C1K1
Rating: 90 (10 reviews)

2-(2-chlorophenyl)-3-oxo-3-(pyridin-3-yl)propanenitrile

CAS No.:

1291439-19-4

Catalog Number:

AG01C1K1

Molecular Formula:

C14H9ClN2O

Molecular Weight:

256.6871

Catalog Number:

AG01C1K1

Chemical Name:

2-(2-chlorophenyl)-3-oxo-3-(pyridin-3-yl)propanenitrile

CAS Number:

1291439-19-4

Molecular Formula:

C14H9ClN2O

Molecular Weight:

256.6871

MDL Number:

MFCD16239759

IUPAC Name:

2-(2-chlorophenyl)-3-oxo-3-pyridin-3-ylpropanenitrile

InChI:

InChI=1S/C14H9ClN2O/c15-13-6-2-1-5-11(13)12(8-16)14(18)10-4-3-7-17-9-10/h1-7,9,12H

InChI Key:

VQEZQDAGLIYQHN-UHFFFAOYSA-N

SMILES:

N#CC(c1ccccc1Cl)C(=O)c1cccnc1

Complexity:

349

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

256.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

256.689g/mol

Monoisotopic Mass:

256.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7