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methyl 6-(trifluoromethyl)-1H-indole-4-carboxylate

methyl 6-(trifluoromethyl)-1H-indole-4-carboxylate

CAS: 1352905-52-2

Formula: C11H8F3NO2

SMILES: COC(=O)C1=C2C=CNC2=CC(=C1)C(F)(F)F

IUPAC: methyl 6-(trifluoromethyl)-1H-indole-4-carboxylate

InChI: InChI=1S/C11H8F3NO2/c1-17-10(16)8-4-6(11(12,13)14)5-9-7(8)2-3-15-9/h2-5,15H,1H3

Composition: C (54.33%), H (3.32%), F (23.44%), N (5.76%), O (13.16%)

Molar Mass: 243.185

Atom Count: 25

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 243.050712991
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey YPISWOSULUAZKV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.14
Topological Polar Surface Area 42.09
Polarizability 21.06
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1352905-52-2 $199.24-$818.39$199.24$317.77$546.01$818.39
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