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4-(trifluoromethyl)-1H-indole-3-carboxylic acid

4-(trifluoromethyl)-1H-indole-3-carboxylic acid

CAS: 959238-76-7

Formula: C10H6F3NO2

SMILES: OC(=O)C1=CNC2=CC=CC(=C12)C(F)(F)F

IUPAC: 4-(trifluoromethyl)-1H-indole-3-carboxylic acid

InChI: InChI=1S/C10H6F3NO2/c11-10(12,13)6-2-1-3-7-8(6)5(4-14-7)9(15)16/h1-4,14H,(H,15,16)

Composition: C (52.41%), H (2.64%), F (24.87%), N (6.11%), O (13.96%)

Molar Mass: 229.158

Atom Count: 22

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 229.035062926
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey ZXHZBUBUBCCBBT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.37
Topological Polar Surface Area 53.09
Polarizability 19.03
Ring Count 2
Rotatable Bond Count 2

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