Name: Name:ethyl 1-(2,4-difluorophenyl)-5-ethoxy-4,5-dihydro-1H-pyrazole-3-carboxylate
Brand: Angene
SKU: AG01BCUN
Rating: 90 (10 reviews)

ethyl 1-(2,4-difluorophenyl)-5-ethoxy-4,5-dihydro-1H-pyrazole-3-carboxylate

CAS No.:

1803586-87-9

Catalog Number:

AG01BCUN

Molecular Formula:

C14H16F2N2O3

Molecular Weight:

298.2852

Catalog Number:

AG01BCUN

Chemical Name:

ethyl 1-(2,4-difluorophenyl)-5-ethoxy-4,5-dihydro-1H-pyrazole-3-carboxylate

CAS Number:

1803586-87-9

Molecular Formula:

C14H16F2N2O3

Molecular Weight:

298.2852

MDL Number:

MFCD28012320

IUPAC Name:

ethyl 2-(2,4-difluorophenyl)-3-ethoxy-3,4-dihydropyrazole-5-carboxylate

InChI:

InChI=1S/C14H16F2N2O3/c1-3-20-13-8-11(14(19)21-4-2)17-18(13)12-6-5-9(15)7-10(12)16/h5-7,13H,3-4,8H2,1-2H3

InChI Key:

VSMJFTWQYFYUAL-UHFFFAOYSA-N

SMILES:

CCOC1CC(=NN1c1ccc(cc1F)F)C(=O)OCC

Complexity:

406

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

298.113g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

298.29g/mol

Monoisotopic Mass:

298.113g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

51.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7