ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate

ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate

CAS: 163160-58-5

Formula: C12H10ClNO3

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

IUPAC: ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate

InChI: InChI=1S/C12H10ClNO3/c1-2-17-12(16)11(15)9-6-14-10-4-3-7(13)5-8(9)10/h3-6,14H,2H2,1H3

Composition: C (57.27%), H (4.01%), Cl (14.09%), N (5.57%), O (19.07%)

Molar Mass: 251.67

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	251.0349209
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WXWCGWHURZEBEH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.66
Topological Polar Surface Area	59.16
Polarizability	25.59
Ring Count	2
Rotatable Bond Count	4

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