Text Search
Structure Search

3-(difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylic acid

3-(difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxylic acid

CAS: 1369490-06-1

Formula: C13H9F5N2O3

SMILES: CN1N=C(C(F)F)C(C(O)=O)=C1OC1=CC(=CC=C1)C(F)(F)F

IUPAC: 3-(difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carboxylic acid

InChI: InChI=1S/C13H9F5N2O3/c1-20-11(8(12(21)22)9(19-20)10(14)15)23-7-4-2-3-6(5-7)13(16,17)18/h2-5,10H,1H3,(H,21,22)

Composition: C (46.44%), H (2.70%), F (28.25%), N (8.33%), O (14.28%)

Molar Mass: 336.218

Atom Count: 32

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 336.053332973
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PSZGSAQBIBBCRP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.42
Topological Polar Surface Area 64.35
Polarizability 24.58
Ring Count 2
Rotatable Bond Count 5

Suppliers

No suppliers are currently stocking this item.