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ethyl 5-chloro-6-methyl-1H-indole-2-carboxylate

ethyl 5-chloro-6-methyl-1H-indole-2-carboxylate

CAS: 1352909-23-9

Formula: C12H12ClNO2

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

IUPAC: ethyl 5-chloro-6-methyl-1H-indole-2-carboxylate

InChI: InChI=1S/C12H12ClNO2/c1-3-16-12(15)11-6-8-5-9(13)7(2)4-10(8)14-11/h4-6,14H,3H2,1-2H3

Composition: C (60.64%), H (5.09%), Cl (14.91%), N (5.89%), O (13.46%)

Molar Mass: 237.68

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 237.0556563
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey FOZLGJYZTCOFLH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.64
Topological Polar Surface Area 42.09
Polarizability 25.43
Ring Count 2
Rotatable Bond Count 3

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