Name: Name:Benzonitrile, 2-methoxy-6-(2,2,2-trifluoroethoxy)-
Brand: Angene
SKU: AG0020KJ
Rating: 90 (10 reviews)

Benzonitrile, 2-methoxy-6-(2,2,2-trifluoroethoxy)-

CAS No.:

175204-03-2

Catalog Number:

AG0020KJ

Molecular Formula:

C10H8F3NO2

Molecular Weight:

231.1712

Catalog Number:

AG0020KJ

Chemical Name:

Benzonitrile, 2-methoxy-6-(2,2,2-trifluoroethoxy)-

CAS Number:

175204-03-2

Molecular Formula:

C10H8F3NO2

Molecular Weight:

231.1712

MDL Number:

MFCD00068217

IUPAC Name:

2-methoxy-6-(2,2,2-trifluoroethoxy)benzonitrile

InChI:

InChI=1S/C10H8F3NO2/c1-15-8-3-2-4-9(7(8)5-14)16-6-10(11,12)13/h2-4H,6H2,1H3

InChI Key:

FGPIHUUPWYOKIW-UHFFFAOYSA-N

SMILES:

COc1cccc(c1C#N)OCC(F)(F)F

Complexity:

271

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.174g/mol

Monoisotopic Mass:

231.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7