Name: Name:Benzeneacetonitrile, 4-fluoro-α-(2,2,2-trifluoroacetyl)-
Brand: Angene
SKU: AG00321Z
Rating: 90 (10 reviews)

Benzeneacetonitrile, 4-fluoro-α-(2,2,2-trifluoroacetyl)-

CAS No.:

3108-23-4

Catalog Number:

AG00321Z

Molecular Formula:

C10H5F4NO

Molecular Weight:

231.1464

Catalog Number:

AG00321Z

Chemical Name:

Benzeneacetonitrile, 4-fluoro-α-(2,2,2-trifluoroacetyl)-

CAS Number:

3108-23-4

Molecular Formula:

C10H5F4NO

Molecular Weight:

231.1464

MDL Number:

MFCD31693525

IUPAC Name:

4,4,4-trifluoro-2-(4-fluorophenyl)-3-oxobutanenitrile

InChI:

InChI=1S/C10H5F4NO/c11-7-3-1-6(2-4-7)8(5-15)9(16)10(12,13)14/h1-4,8H

InChI Key:

RCAQVQYAKNWDSW-UHFFFAOYSA-N

SMILES:

N#CC(C(=O)C(F)(F)F)c1ccc(cc1)F

Complexity:

309

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.15g/mol

Monoisotopic Mass:

231.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7