Name: Name:1-[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one
Brand: Angene
SKU: AG019XX5
Rating: 90 (10 reviews)

1-[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one

CAS No.:

5078-58-0

Catalog Number:

AG019XX5

Molecular Formula:

C12H11FN2O

Molecular Weight:

218.2269

Catalog Number:

AG019XX5

Chemical Name:

1-[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethan-1-one

CAS Number:

5078-58-0

Molecular Formula:

C12H11FN2O

Molecular Weight:

218.2269

MDL Number:

MFCD11168178

IUPAC Name:

1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanone

InChI:

InChI=1S/C12H11FN2O/c1-8-12(9(2)16)7-14-15(8)11-5-3-10(13)4-6-11/h3-7H,1-2H3

InChI Key:

WGNMHNCXFRDRTH-UHFFFAOYSA-N

SMILES:

Fc1ccc(cc1)n1ncc(c1C)C(=O)C

Complexity:

264

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.086g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

218.231g/mol

Monoisotopic Mass:

218.086g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1