Name: Name:4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
Brand: Angene
SKU: AG009DYL
Rating: 90 (10 reviews)

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

CAS No.:

128694-71-3

Catalog Number:

AG009DYL

Molecular Formula:

C6H4ClF3N2O2

Molecular Weight:

228.5564

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Purity

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United States

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Catalog Number:

AG009DYL

Chemical Name:

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

CAS Number:

128694-71-3

Molecular Formula:

C6H4ClF3N2O2

Molecular Weight:

228.5564

MDL Number:

MFCD03419669

IUPAC Name:

4-chloro-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid

InChI:

InChI=1S/C6H4ClF3N2O2/c1-12-3(5(13)14)2(7)4(11-12)6(8,9)10/h1H3,(H,13,14)

InChI Key:

JXWXOYNVUAWUIW-UHFFFAOYSA-N

SMILES:

OC(=O)c1n(C)nc(c1Cl)C(F)(F)F

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.991g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.555g/mol

Monoisotopic Mass:

227.991g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6