Name: Name:2,2,2-trifluoro-1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one
Brand: Angene
SKU: AG01AIC4
Rating: 90 (10 reviews)

2,2,2-trifluoro-1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one

CAS No.:

1306606-56-3

Catalog Number:

AG01AIC4

Molecular Formula:

C8H9F3N2O

Molecular Weight:

206.1651

Catalog Number:

AG01AIC4

Chemical Name:

2,2,2-trifluoro-1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one

CAS Number:

1306606-56-3

Molecular Formula:

C8H9F3N2O

Molecular Weight:

206.1651

MDL Number:

MFCD18838994

IUPAC Name:

2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethanone

InChI:

InChI=1S/C8H9F3N2O/c1-4-6(5(2)13(3)12-4)7(14)8(9,10)11/h1-3H3

InChI Key:

ZIQGDXWRGNPXBL-UHFFFAOYSA-N

SMILES:

Cc1nn(c(c1C(=O)C(F)(F)F)C)C

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

206.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

206.168g/mol

Monoisotopic Mass:

206.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8