Name: Name:1-benzyl-3-(difluoromethyl)-5-ethoxy-1H-pyrazole
Brand: Angene
SKU: AG01AC22
Rating: 90 (10 reviews)

1-benzyl-3-(difluoromethyl)-5-ethoxy-1H-pyrazole

CAS No.:

1461706-12-6

Catalog Number:

AG01AC22

Molecular Formula:

C13H14F2N2O

Molecular Weight:

252.2599

Catalog Number:

AG01AC22

Chemical Name:

1-benzyl-3-(difluoromethyl)-5-ethoxy-1H-pyrazole

CAS Number:

1461706-12-6

Molecular Formula:

C13H14F2N2O

Molecular Weight:

252.2599

MDL Number:

MFCD26407835

IUPAC Name:

1-benzyl-3-(difluoromethyl)-5-ethoxypyrazole

InChI:

InChI=1S/C13H14F2N2O/c1-2-18-12-8-11(13(14)15)16-17(12)9-10-6-4-3-5-7-10/h3-8,13H,2,9H2,1H3

InChI Key:

NVKOZXZANCLTFP-UHFFFAOYSA-N

SMILES:

CCOc1cc(nn1Cc1ccccc1)C(F)F

Complexity:

247

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.107g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.265g/mol

Monoisotopic Mass:

252.107g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

27A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2