Name: Name:5-(chlorodifluoromethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG019RY2
Rating: 90 (10 reviews)

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

CAS No.:

1421603-58-8

Catalog Number:

AG019RY2

Molecular Formula:

C7H4ClF5N2O2

Molecular Weight:

278.5639

Catalog Number:

AG019RY2

Chemical Name:

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

CAS Number:

1421603-58-8

Molecular Formula:

C7H4ClF5N2O2

Molecular Weight:

278.5639

MDL Number:

MFCD22392260

IUPAC Name:

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

InChI:

InChI=1S/C7H4ClF5N2O2/c1-15-4(6(8,9)10)2(5(16)17)3(14-15)7(11,12)13/h1H3,(H,16,17)

InChI Key:

ABTGULRUPQHWNM-UHFFFAOYSA-N

SMILES:

OC(=O)c1c(nn(c1C(Cl)(F)F)C)C(F)(F)F

Complexity:

324

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

277.988g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

278.563g/mol

Monoisotopic Mass:

277.988g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8