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7-(trifluoromethoxy)-1H-indazole-3-carboxylic acid

7-(trifluoromethoxy)-1H-indazole-3-carboxylic acid

CAS: 885277-92-9

Formula: C9H5F3N2O3

SMILES: OC(=O)C1=NNC2=C(OC(F)(F)F)C=CC=C12

IUPAC: 7-(trifluoromethoxy)-1H-indazole-3-carboxylic acid

InChI: InChI=1S/C9H5F3N2O3/c10-9(11,12)17-5-3-1-2-4-6(5)13-14-7(4)8(15)16/h1-3H,(H,13,14)(H,15,16)

Composition: C (43.92%), H (2.05%), F (23.16%), N (11.38%), O (19.50%)

Molar Mass: 246.145

Atom Count: 22

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 246.025226518
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey LAJOFHIWXSUJIE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.03
Topological Polar Surface Area 75.21
Polarizability 19.05
Ring Count 2
Rotatable Bond Count 3

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96% <2 Days 885277-92-9 $201.25-$4,597.70$201.25$286.35$457.70$687.70$1,147.70$4,597.70
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