Name: Name:1H-Pyrazole-4-carboxylic acid, 5-chloro-1-methyl-3-(trifluoromethyl)-
Brand: Angene
SKU: AG000Y3R
Rating: 90 (10 reviews)

1H-Pyrazole-4-carboxylic acid, 5-chloro-1-methyl-3-(trifluoromethyl)-

CAS No.:

128455-63-0

Catalog Number:

AG000Y3R

Molecular Formula:

C6H4ClF3N2O2

Molecular Weight:

228.5564

Catalog Number:

AG000Y3R

Chemical Name:

1H-Pyrazole-4-carboxylic acid, 5-chloro-1-methyl-3-(trifluoromethyl)-

CAS Number:

128455-63-0

Molecular Formula:

C6H4ClF3N2O2

Molecular Weight:

228.5564

MDL Number:

MFCD00215443

IUPAC Name:

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

InChI:

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

InChI Key:

IKGVBNQPAJOSFP-UHFFFAOYSA-N

SMILES:

OC(=O)c1c(Cl)n(nc1C(F)(F)F)C

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