Name: Name:5-(difluoromethyl)-1-(2-methylphenyl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01C5G1
Rating: 90 (10 reviews)

5-(difluoromethyl)-1-(2-methylphenyl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1498346-98-7

Catalog Number:

AG01C5G1

Molecular Formula:

C12H10F2N2O2

Molecular Weight:

252.2168

Catalog Number:

AG01C5G1

Chemical Name:

5-(difluoromethyl)-1-(2-methylphenyl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1498346-98-7

Molecular Formula:

C12H10F2N2O2

Molecular Weight:

252.2168

MDL Number:

MFCD17138683

IUPAC Name:

5-(difluoromethyl)-1-(2-methylphenyl)pyrazole-4-carboxylic acid

InChI:

InChI=1S/C12H10F2N2O2/c1-7-4-2-3-5-9(7)16-10(11(13)14)8(6-15-16)12(17)18/h2-6,11H,1H3,(H,17,18)

InChI Key:

WWIWDQKQLXRPOB-UHFFFAOYSA-N

SMILES:

FC(c1c(cnn1c1ccccc1C)C(=O)O)F

Complexity:

315

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.071g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.221g/mol

Monoisotopic Mass:

252.071g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4