Name: Name:1,3-bis(difluoromethyl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01A3CG
Rating: 90 (10 reviews)

1,3-bis(difluoromethyl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1823745-96-5

Catalog Number:

AG01A3CG

Molecular Formula:

C6H4F4N2O2

Molecular Weight:

212.1018

Catalog Number:

AG01A3CG

Chemical Name:

1,3-bis(difluoromethyl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1823745-96-5

Molecular Formula:

C6H4F4N2O2

Molecular Weight:

212.1018

MDL Number:

MFCD28132507

IUPAC Name:

1,3-bis(difluoromethyl)pyrazole-4-carboxylic acid

InChI:

InChI=1S/C6H4F4N2O2/c7-4(8)3-2(5(13)14)1-12(11-3)6(9)10/h1,4,6H,(H,13,14)

InChI Key:

ZTYIAENWCNQZGI-UHFFFAOYSA-N

SMILES:

FC(n1cc(c(n1)C(F)F)C(=O)O)F

Complexity:

226

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.021g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.104g/mol

Monoisotopic Mass:

212.021g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3