Name: Name:4-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
Brand: Angene
SKU: AG01EK93
Rating: 90 (10 reviews)

4-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

CAS No.:

1623156-88-6

Catalog Number:

AG01EK93

Molecular Formula:

C6H5F3N2O2

Molecular Weight:

194.1113

Catalog Number:

AG01EK93

Chemical Name:

4-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

CAS Number:

1623156-88-6

Molecular Formula:

C6H5F3N2O2

Molecular Weight:

194.1113

MDL Number:

MFCD26938281

IUPAC Name:

4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid

InChI:

InChI=1S/C6H5F3N2O2/c1-2-3(5(12)13)10-11-4(2)6(7,8)9/h1H3,(H,10,11)(H,12,13)

InChI Key:

WCXHNTHRQUBIRN-UHFFFAOYSA-N

SMILES:

OC(=O)c1[nH]nc(c1C)C(F)(F)F

Complexity:

218

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.113g/mol

Monoisotopic Mass:

194.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4