Name: Name:1H-Pyrazole-4-carboxylic acid, 1-(2,4-difluorophenyl)-5-methyl-, ethyl ester
Brand: Angene
SKU: AG002079
Rating: 90 (10 reviews)

1H-Pyrazole-4-carboxylic acid, 1-(2,4-difluorophenyl)-5-methyl-, ethyl ester

CAS No.:

175135-71-4

Catalog Number:

AG002079

Molecular Formula:

C13H12F2N2O2

Molecular Weight:

266.2434

Catalog Number:

AG002079

Chemical Name:

1H-Pyrazole-4-carboxylic acid, 1-(2,4-difluorophenyl)-5-methyl-, ethyl ester

CAS Number:

175135-71-4

Molecular Formula:

C13H12F2N2O2

Molecular Weight:

266.2434

MDL Number:

MFCD00067830

IUPAC Name:

ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate

InChI:

InChI=1S/C13H12F2N2O2/c1-3-19-13(18)10-7-16-17(8(10)2)12-5-4-9(14)6-11(12)15/h4-7H,3H2,1-2H3

InChI Key:

WVZDFYXWWMSKSH-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cnn(c1C)c1ccc(cc1F)F

Complexity:

330

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

266.087g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

266.248g/mol

Monoisotopic Mass:

266.087g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7