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ethyl 5-fluoro-2-methyl-1H-indole-3-carboxylate

ethyl 5-fluoro-2-methyl-1H-indole-3-carboxylate

CAS: 886362-70-5

Formula: C12H12FNO2

SMILES: CCOC(=O)C1=C(C)NC2=CC=C(F)C=C12

IUPAC: ethyl 5-fluoro-2-methyl-1H-indole-3-carboxylate

InChI: InChI=1S/C12H12FNO2/c1-3-16-12(15)11-7(2)14-10-5-4-8(13)6-9(10)11/h4-6,14H,3H2,1-2H3

Composition: C (65.15%), H (5.47%), F (8.59%), N (6.33%), O (14.46%)

Molar Mass: 221.231

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 221.085206793
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey FORZEOSWWHEOEL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.28
Topological Polar Surface Area 42.09
Polarizability 23.22
Ring Count 2
Rotatable Bond Count 3

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