Name: Name:3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanenitrile
Brand: Angene
SKU: AG019GV6
Rating: 90 (10 reviews)

3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanenitrile

CAS No.:

379726-07-5

Catalog Number:

AG019GV6

Molecular Formula:

C13H14FN3O

Molecular Weight:

247.2682

Catalog Number:

AG019GV6

Chemical Name:

3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanenitrile

CAS Number:

379726-07-5

Molecular Formula:

C13H14FN3O

Molecular Weight:

247.2682

MDL Number:

MFCD03152411

IUPAC Name:

3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanenitrile

InChI:

InChI=1S/C13H14FN3O/c14-11-3-1-2-4-12(11)16-7-9-17(10-8-16)13(18)5-6-15/h1-4H,5,7-10H2

InChI Key:

FVKGNCMZMKPVDY-UHFFFAOYSA-N

SMILES:

N#CCC(=O)N1CCN(CC1)c1ccccc1F

Complexity:

343

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.112g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.273g/mol

Monoisotopic Mass:

247.112g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3