ethyl 5-iodo-1H-indole-2-carboxylate

ethyl 5-iodo-1H-indole-2-carboxylate

CAS: 623918-49-0

Formula: C11H10INO2

SMILES: CCOC(=O)C1=CC2=CC(I)=CC=C2N1

IUPAC: ethyl 5-iodo-1H-indole-2-carboxylate

InChI: InChI=1S/C11H10INO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3

Composition: C (41.93%), H (3.20%), I (40.27%), N (4.45%), O (10.15%)

Molar Mass: 315.11

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	314.97562
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	KHKBULWACPNHSH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.16
Topological Polar Surface Area	42.09
Polarizability	26.87
Ring Count	2
Rotatable Bond Count	3

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