Name: Name:2-{4-methoxy-3-[(trifluoromethyl)sulfanyl]phenyl}acetonitrile
Brand: Angene
SKU: AG01AHRK
Rating: 90 (10 reviews)

2-{4-methoxy-3-[(trifluoromethyl)sulfanyl]phenyl}acetonitrile

CAS No.:

1311314-66-5

Catalog Number:

AG01AHRK

Molecular Formula:

C10H8F3NOS

Molecular Weight:

247.2368

Catalog Number:

AG01AHRK

Chemical Name:

2-{4-methoxy-3-[(trifluoromethyl)sulfanyl]phenyl}acetonitrile

CAS Number:

1311314-66-5

Molecular Formula:

C10H8F3NOS

Molecular Weight:

247.2368

MDL Number:

MFCD18785573

IUPAC Name:

2-[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]acetonitrile

InChI:

InChI=1S/C10H8F3NOS/c1-15-8-3-2-7(4-5-14)6-9(8)16-10(11,12)13/h2-3,6H,4H2,1H3

InChI Key:

CCACNVTVNGGLDH-UHFFFAOYSA-N

SMILES:

N#CCc1ccc(c(c1)SC(F)(F)F)OC

Complexity:

273

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.028g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.235g/mol

Monoisotopic Mass:

247.028g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9