Name: Name:3-(difluoromethyl)-1-(2-methylpropyl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01A31K
Rating: 90 (10 reviews)

3-(difluoromethyl)-1-(2-methylpropyl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1244964-06-4

Catalog Number:

AG01A31K

Molecular Formula:

C9H12F2N2O2

Molecular Weight:

218.2006

Catalog Number:

AG01A31K

Chemical Name:

3-(difluoromethyl)-1-(2-methylpropyl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1244964-06-4

Molecular Formula:

C9H12F2N2O2

Molecular Weight:

218.2006

MDL Number:

MFCD29033725

IUPAC Name:

3-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid

InChI:

InChI=1S/C9H12F2N2O2/c1-5(2)3-13-4-6(9(14)15)7(12-13)8(10)11/h4-5,8H,3H2,1-2H3,(H,14,15)

InChI Key:

SNDFTWQSHNOENR-UHFFFAOYSA-N

SMILES:

CC(Cn1nc(c(c1)C(=O)O)C(F)F)C

Complexity:

236

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.087g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

218.204g/mol

Monoisotopic Mass:

218.087g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7