Name: Name:1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2,2,2-trifluoroethan-1-one
Brand: Angene
SKU: AG019QYX
Rating: 90 (10 reviews)

1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2,2,2-trifluoroethan-1-one

CAS No.:

1354954-37-2

Catalog Number:

AG019QYX

Molecular Formula:

C13H11F3N2O

Molecular Weight:

268.2344

Catalog Number:

AG019QYX

Chemical Name:

1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2,2,2-trifluoroethan-1-one

CAS Number:

1354954-37-2

Molecular Formula:

C13H11F3N2O

Molecular Weight:

268.2344

MDL Number:

MFCD20441610

IUPAC Name:

1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2,2,2-trifluoroethanone

InChI:

InChI=1S/C13H11F3N2O/c1-8-11(12(19)13(14,15)16)9(2)18(17-8)10-6-4-3-5-7-10/h3-7H,1-2H3

InChI Key:

BILREAOGAADGTO-UHFFFAOYSA-N

SMILES:

Cc1nn(c(c1C(=O)C(F)(F)F)C)c1ccccc1

Complexity:

339

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.239g/mol

Monoisotopic Mass:

268.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7