Name: Name:1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-5-(trifluoromethyl)-, ethyl ester
Brand: Angene
SKU: AG0020BX
Rating: 90 (10 reviews)

1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-5-(trifluoromethyl)-, ethyl ester

CAS No.:

175137-38-9

Catalog Number:

AG0020BX

Molecular Formula:

C13H10F4N2O2

Molecular Weight:

302.2243

Catalog Number:

AG0020BX

Chemical Name:

1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-5-(trifluoromethyl)-, ethyl ester

CAS Number:

175137-38-9

Molecular Formula:

C13H10F4N2O2

Molecular Weight:

302.2243

MDL Number:

MFCD00173869

IUPAC Name:

ethyl 1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate

InChI:

InChI=1S/C13H10F4N2O2/c1-2-21-12(20)10-7-18-19(11(10)13(15,16)17)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3

InChI Key:

WTDWKMYSOQGLIX-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cnn(c1C(F)(F)F)c1ccc(cc1)F

Complexity:

370

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

302.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

302.229g/mol

Monoisotopic Mass:

302.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1