Name: Name:4-chloro-1-(difluoromethyl)-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG009JDX
Rating: 90 (10 reviews)

4-chloro-1-(difluoromethyl)-1H-pyrazole-3-carboxylic acid

CAS No.:

1310350-99-2

Catalog Number:

AG009JDX

Molecular Formula:

C5H3ClF2N2O2

Molecular Weight:

196.5393

Catalog Number:

AG009JDX

Chemical Name:

4-chloro-1-(difluoromethyl)-1H-pyrazole-3-carboxylic acid

CAS Number:

1310350-99-2

Molecular Formula:

C5H3ClF2N2O2

Molecular Weight:

196.5393

MDL Number:

MFCD03420212

IUPAC Name:

4-chloro-1-(difluoromethyl)pyrazole-3-carboxylic acid

InChI:

InChI=1S/C5H3ClF2N2O2/c6-2-1-10(5(7)8)9-3(2)4(11)12/h1,5H,(H,11,12)

InChI Key:

CJHLWLUPTLVMPW-UHFFFAOYSA-N

SMILES:

OC(=O)c1nn(cc1Cl)C(F)F

Complexity:

192

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.985g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.538g/mol

Monoisotopic Mass:

195.985g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6