Name: Name:1-(2-CYANOETHYL)-3-(TRIFLUOROMETHYL)-2(1H)-PYRIDONE
Brand: Angene
SKU: AG00AOL2
Rating: 90 (10 reviews)

1-(2-CYANOETHYL)-3-(TRIFLUOROMETHYL)-2(1H)-PYRIDONE

CAS No.:

175277-60-8

Catalog Number:

AG00AOL2

Molecular Formula:

C9H7F3N2O

Molecular Weight:

216.1599

Catalog Number:

AG00AOL2

Chemical Name:

1-(2-CYANOETHYL)-3-(TRIFLUOROMETHYL)-2(1H)-PYRIDONE

CAS Number:

175277-60-8

Molecular Formula:

C9H7F3N2O

Molecular Weight:

216.1599

MDL Number:

MFCD00204216

IUPAC Name:

3-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]propanenitrile

InChI:

InChI=1S/C9H7F3N2O/c10-9(11,12)7-3-1-5-14(8(7)15)6-2-4-13/h1,3,5H,2,6H2

InChI Key:

CQBBWSPMEJVWQE-UHFFFAOYSA-N

SMILES:

N#CCCn1cccc(c1=O)C(F)(F)F

Complexity:

373

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

216.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

216.163g/mol

Monoisotopic Mass:

216.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: