Name: Name:[3,5-Bis(difluoromethyl)-1h-pyrazol-1-yl]acetic acid
Brand: Angene
SKU: AG00DP6R
Rating: 90 (10 reviews)

[3,5-Bis(difluoromethyl)-1h-pyrazol-1-yl]acetic acid

CAS No.:

512809-60-8

Catalog Number:

AG00DP6R

Molecular Formula:

C7H6F4N2O2

Molecular Weight:

226.1284

Catalog Number:

AG00DP6R

Chemical Name:

[3,5-Bis(difluoromethyl)-1h-pyrazol-1-yl]acetic acid

CAS Number:

512809-60-8

Molecular Formula:

C7H6F4N2O2

Molecular Weight:

226.1284

MDL Number:

MFCD03419711

IUPAC Name:

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetic acid

InChI:

InChI=1S/C7H6F4N2O2/c8-6(9)3-1-4(7(10)11)13(12-3)2-5(14)15/h1,6-7H,2H2,(H,14,15)

InChI Key:

TXIOULNLSCTYNR-UHFFFAOYSA-N

SMILES:

FC(c1cc(nn1CC(=O)O)C(F)F)F

Complexity:

239

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.037g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.131g/mol

Monoisotopic Mass:

226.037g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2