6-chloro-5-methoxy-1H-indole

6-chloro-5-methoxy-1H-indole

CAS: 63762-72-1

Formula: C9H8ClNO

SMILES: COC1=C(Cl)C=C2NC=CC2=C1

IUPAC: 6-chloro-5-methoxy-1H-indole

InChI: InChI=1S/C9H8ClNO/c1-12-9-4-6-2-3-11-8(6)5-7(9)10/h2-5,11H,1H3

Composition: C (59.52%), H (4.44%), Cl (19.52%), N (7.71%), O (8.81%)

Molar Mass: 181.62

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	181.0294416
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	SSBPRGFEADRKDA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.41
Topological Polar Surface Area	25.02
Polarizability	19.93
Ring Count	2
Rotatable Bond Count	1

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