Name: Name:N-[1-cyano-1-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide
Brand: Angene
SKU: AG01A68Z
Rating: 90 (10 reviews)

N-[1-cyano-1-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide

CAS No.:

1461707-99-2

Catalog Number:

AG01A68Z

Molecular Formula:

C13H13F3N2O3

Molecular Weight:

302.2491

Catalog Number:

AG01A68Z

Chemical Name:

N-[1-cyano-1-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide

CAS Number:

1461707-99-2

Molecular Formula:

C13H13F3N2O3

Molecular Weight:

302.2491

MDL Number:

MFCD06660608

IUPAC Name:

N-[1-cyano-1-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide

InChI:

InChI=1S/C13H13F3N2O3/c1-12(7-17,18-11(19)13(14,15)16)8-4-5-9(20-2)10(6-8)21-3/h4-6H,1-3H3,(H,18,19)

InChI Key:

BUVNFKOAIXXHHU-UHFFFAOYSA-N

SMILES:

N#CC(c1ccc(c(c1)OC)OC)(NC(=O)C(F)(F)F)C

Complexity:

432

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

302.088g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

302.253g/mol

Monoisotopic Mass:

302.088g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3