Name: Name:2-[3-chloro-5-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile
Brand: Angene
SKU: AG019WG8
Rating: 90 (10 reviews)

2-[3-chloro-5-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile

CAS No.:

1209937-54-1

Catalog Number:

AG019WG8

Molecular Formula:

C11H9ClF3NO2

Molecular Weight:

279.6429

Catalog Number:

AG019WG8

Chemical Name:

2-[3-chloro-5-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile

CAS Number:

1209937-54-1

Molecular Formula:

C11H9ClF3NO2

Molecular Weight:

279.6429

MDL Number:

MFCD13516789

IUPAC Name:

2-[3-chloro-5-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile

InChI:

InChI=1S/C11H9ClF3NO2/c1-17-9-5-7(2-3-16)4-8(12)10(9)18-6-11(13,14)15/h4-5H,2,6H2,1H3

InChI Key:

DLTQTRXIHHVKSU-UHFFFAOYSA-N

SMILES:

N#CCc1cc(Cl)c(c(c1)OC)OCC(F)(F)F

Complexity:

315

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.027g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.643g/mol

Monoisotopic Mass:

279.027g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3