Name: Name:2-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile
Brand: Angene
SKU: AG019W8T
Rating: 90 (10 reviews)

2-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile

CAS No.:

1193388-18-9

Catalog Number:

AG019W8T

Molecular Formula:

C12H12F3NO2

Molecular Weight:

259.2244

Catalog Number:

AG019W8T

Chemical Name:

2-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile

CAS Number:

1193388-18-9

Molecular Formula:

C12H12F3NO2

Molecular Weight:

259.2244

MDL Number:

MFCD12912920

IUPAC Name:

2-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile

InChI:

InChI=1S/C12H12F3NO2/c1-2-17-11-7-9(5-6-16)3-4-10(11)18-8-12(13,14)15/h3-4,7H,2,5,8H2,1H3

InChI Key:

WBYXSJVUAPIXOE-UHFFFAOYSA-N

SMILES:

CCOc1cc(CC#N)ccc1OCC(F)(F)F

Complexity:

297

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.228g/mol

Monoisotopic Mass:

259.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6