Name: Name:1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid
Brand: Angene
SKU: AG01BF85
Rating: 90 (10 reviews)

1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid

CAS No.:

1342130-35-1

Catalog Number:

AG01BF85

Molecular Formula:

C6H6F2N2O2

Molecular Weight:

176.1208

Catalog Number:

AG01BF85

Chemical Name:

1-(2,2-difluoroethyl)-1H-pyrazole-5-carboxylic acid

CAS Number:

1342130-35-1

Molecular Formula:

C6H6F2N2O2

Molecular Weight:

176.1208

MDL Number:

MFCD20331106

IUPAC Name:

2-(2,2-difluoroethyl)pyrazole-3-carboxylic acid

InChI:

InChI=1S/C6H6F2N2O2/c7-5(8)3-10-4(6(11)12)1-2-9-10/h1-2,5H,3H2,(H,11,12)

InChI Key:

KCLCELLKUDRQFF-UHFFFAOYSA-N

SMILES:

FC(Cn1nccc1C(=O)O)F

Complexity:

177

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

176.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

176.123g/mol

Monoisotopic Mass:

176.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9