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

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

CAS: 53590-46-8

Formula: C11H10ClNO2

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

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

InChI: InChI=1S/C11H10ClNO2/c1-2-15-11(14)10-6-7-8(12)4-3-5-9(7)13-10/h3-6,13H,2H2,1H3

Composition: C (59.07%), H (4.51%), Cl (15.85%), N (6.26%), O (14.31%)

Molar Mass: 223.66

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	223.0400063
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	XWNVSPGTJSGNPU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.6
Topological Polar Surface Area	42.09
Polarizability	23.67
Ring Count	2
Rotatable Bond Count	3

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