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4-(trifluoromethyl)-1H-indole-2,3-dione

4-(trifluoromethyl)-1H-indole-2,3-dione

CAS: 386-73-2

Formula: C9H4F3NO2

SMILES: FC(F)(F)C1=C2C(NC(=O)C2=O)=CC=C1

IUPAC: 4-(trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione

InChI: InChI=1S/C9H4F3NO2/c10-9(11,12)4-2-1-3-5-6(4)7(14)8(15)13-5/h1-3H,(H,13,14,15)

Composition: C (50.25%), H (1.87%), F (26.49%), N (6.51%), O (14.87%)

Molar Mass: 215.131

Atom Count: 19

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 215.019412862
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RHIANQJNIOBETN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.45
Topological Polar Surface Area 46.17
Polarizability 15.94
Ring Count 2
Rotatable Bond Count 1

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