Name: Name:5-(difluoromethyl)-1-(2-methylpropyl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01A317
Rating: 90 (10 reviews)

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

CAS No.:

1339834-08-0

Catalog Number:

AG01A317

Molecular Formula:

C9H12F2N2O2

Molecular Weight:

218.2006

Catalog Number:

AG01A317

Chemical Name:

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

CAS Number:

1339834-08-0

Molecular Formula:

C9H12F2N2O2

Molecular Weight:

218.2006

MDL Number:

MFCD17240902

IUPAC Name:

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

InChI:

InChI=1S/C9H12F2N2O2/c1-5(2)4-13-7(8(10)11)6(3-12-13)9(14)15/h3,5,8H,4H2,1-2H3,(H,14,15)

InChI Key:

OYFBYMFSYFWNMM-UHFFFAOYSA-N

SMILES:

FC(c1n(CC(C)C)ncc1C(=O)O)F

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