Name: Name:4-acetyl-3-(3,3,3-trifluoropropoxy)benzonitrile
Brand: Angene
SKU: AG01BEOS
Rating: 90 (10 reviews)

4-acetyl-3-(3,3,3-trifluoropropoxy)benzonitrile

CAS No.:

1803588-31-9

Catalog Number:

AG01BEOS

Molecular Formula:

C12H10F3NO2

Molecular Weight:

257.2085

Catalog Number:

AG01BEOS

Chemical Name:

4-acetyl-3-(3,3,3-trifluoropropoxy)benzonitrile

CAS Number:

1803588-31-9

Molecular Formula:

C12H10F3NO2

Molecular Weight:

257.2085

MDL Number:

MFCD27017435

IUPAC Name:

4-acetyl-3-(3,3,3-trifluoropropoxy)benzonitrile

InChI:

InChI=1S/C12H10F3NO2/c1-8(17)10-3-2-9(7-16)6-11(10)18-5-4-12(13,14)15/h2-3,6H,4-5H2,1H3

InChI Key:

OHTKALJYRYYPIW-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(c(c1)OCCC(F)(F)F)C(=O)C

Complexity:

345

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.066g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.212g/mol

Monoisotopic Mass:

257.066g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8