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3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole

3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole

CAS: 474707-71-6

Formula: C10H7F3N2O

SMILES: FC(F)(F)OC1=CC=C(C=C1)C1=NNC=C1

IUPAC: 3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole

InChI: InChI=1S/C10H7F3N2O/c11-10(12,13)16-8-3-1-7(2-4-8)9-5-6-14-15-9/h1-6H,(H,14,15)

Composition: C (52.64%), H (3.09%), F (24.98%), N (12.28%), O (7.01%)

Molar Mass: 228.174

Atom Count: 23

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 228.051047342
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey FBNMLMRUGSDQJL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.58
Topological Polar Surface Area 37.91
Polarizability 19.85
Ring Count 2
Rotatable Bond Count 3

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90% <2 Days 474707-71-6 $51.35-$86.31$51.35$63.37$86.31
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