Name: Name:2-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid
Brand: Angene
SKU: AG019UHO
Rating: 90 (10 reviews)

2-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid

CAS No.:

926249-83-4

Catalog Number:

AG019UHO

Molecular Formula:

C13H13FN2O2

Molecular Weight:

248.2529

Catalog Number:

AG019UHO

Chemical Name:

2-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid

CAS Number:

926249-83-4

Molecular Formula:

C13H13FN2O2

Molecular Weight:

248.2529

MDL Number:

MFCD09043802

IUPAC Name:

2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid

InChI:

InChI=1S/C13H13FN2O2/c1-8-12(7-13(17)18)9(2)16(15-8)11-5-3-10(14)4-6-11/h3-6H,7H2,1-2H3,(H,17,18)

InChI Key:

TYGSEAARXZYDNY-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1c(C)nn(c1C)c1ccc(cc1)F

Complexity:

305

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.257g/mol

Monoisotopic Mass:

248.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3