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methyl 6-(trifluoromethyl)-1H-indole-3-carboxylate

methyl 6-(trifluoromethyl)-1H-indole-3-carboxylate

CAS: 415918-12-6

Formula: C11H8F3NO2

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

IUPAC: methyl 6-(trifluoromethyl)-1H-indole-3-carboxylate

InChI: InChI=1S/C11H8F3NO2/c1-17-10(16)8-5-15-9-4-6(11(12,13)14)2-3-7(8)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 NLOZHNZNDVZPBE-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 UnitPrice
98% <10 Days 415918-12-6 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 415918-12-6 $2,640.00-$4,410.00$2,640.00$3,476.00$4,410.00
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