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4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]indazol-3-yl}benzoic acid

4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]indazol-3-yl}benzoic acid

CAS: 1392809-08-3

Formula: C22H12ClF3N2O3

SMILES: OC(=O)C1=CC=C(C=C1)C1=NN(C(=O)C2=C(C=CC=C2Cl)C(F)(F)F)C2=CC=CC=C12

IUPAC: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid

InChI: InChI=1S/C22H12ClF3N2O3/c23-16-6-3-5-15(22(24,25)26)18(16)20(29)28-17-7-2-1-4-14(17)19(27-28)12-8-10-13(11-9-12)21(30)31/h1-11H,(H,30,31)

Composition: C (59.41%), H (2.72%), Cl (7.97%), F (12.81%), N (6.30%), O (10.79%)

Molar Mass: 444.79

Atom Count: 43

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 444.0488544
Formal Charge 0
FSP3 0.05
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey DANLZOIRUUHIIX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 108.81
Topological Polar Surface Area 72.19
Polarizability 42.27
Ring Count 4
Rotatable Bond Count 4

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