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ethyl 5-chloro-4-fluoro-1H-indole-2-carboxylate

ethyl 5-chloro-4-fluoro-1H-indole-2-carboxylate

CAS: 473257-61-3

Formula: C11H9ClFNO2

SMILES: CCOC(=O)C1=CC2=C(F)C(Cl)=CC=C2N1

IUPAC: ethyl 5-chloro-4-fluoro-1H-indole-2-carboxylate

InChI: InChI=1S/C11H9ClFNO2/c1-2-16-11(15)9-5-6-8(14-9)4-3-7(12)10(6)13/h3-5,14H,2H2,1H3

Composition: C (54.68%), H (3.75%), Cl (14.67%), F (7.86%), N (5.80%), O (13.24%)

Molar Mass: 241.65

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 241.0305844
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey WQINJRZUYBEIPG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.82
Topological Polar Surface Area 42.09
Polarizability 23.4
Ring Count 2
Rotatable Bond Count 3

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