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methyl 2-(6-chloro-1H-indol-3-yl)-2-oxoacetate

methyl 2-(6-chloro-1H-indol-3-yl)-2-oxoacetate

CAS: 91182-86-4

Formula: C11H8ClNO3

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

IUPAC: methyl 2-(6-chloro-1H-indol-3-yl)-2-oxoacetate

InChI: InChI=1S/C11H8ClNO3/c1-16-11(15)10(14)8-5-13-9-4-6(12)2-3-7(8)9/h2-5,13H,1H3

Composition: C (55.60%), H (3.39%), Cl (14.92%), N (5.89%), O (20.20%)

Molar Mass: 237.64

Atom Count: 24

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 237.0192708
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MHKVTKGLPWYOHV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.92
Topological Polar Surface Area 59.16
Polarizability 23.76
Ring Count 2
Rotatable Bond Count 3

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