Name: Name:3,5-bis(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01AK4V
Rating: 90 (10 reviews)

3,5-bis(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1335234-35-9

Catalog Number:

AG01AK4V

Molecular Formula:

C6H2F6N2O2

Molecular Weight:

248.0827

Catalog Number:

AG01AK4V

Chemical Name:

3,5-bis(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1335234-35-9

Molecular Formula:

C6H2F6N2O2

Molecular Weight:

248.0827

MDL Number:

MFCD19686533

IUPAC Name:

3,5-bis(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

InChI:

InChI=1S/C6H2F6N2O2/c7-5(8,9)2-1(4(15)16)3(14-13-2)6(10,11)12/h(H,13,14)(H,15,16)

InChI Key:

FWWATELKMKWQKZ-UHFFFAOYSA-N

SMILES:

OC(=O)c1c([nH]nc1C(F)(F)F)C(F)(F)F

Complexity:

288

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.002g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.084g/mol

Monoisotopic Mass:

248.002g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6