ethyl 5-chloro-6-fluoro-1H-indole-2-carboxylate

ethyl 5-chloro-6-fluoro-1H-indole-2-carboxylate

CAS: 473257-60-2

Formula: C11H9ClFNO2

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

IUPAC: ethyl 5-chloro-6-fluoro-1H-indole-2-carboxylate

InChI: InChI=1S/C11H9ClFNO2/c1-2-16-11(15)10-4-6-3-7(12)8(13)5-9(6)14-10/h3-5,14H,2H2,1H3

Composition: C (54.68%), H (3.75%), Cl (14.67%), F (7.86%), N (5.80%), O (13.24%)

Molar Mass: 241.65

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	241.0305844
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	BSVBMPOMIIWULL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.82
Topological Polar Surface Area	42.09
Polarizability	23.39
Ring Count	2
Rotatable Bond Count	3

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95%	<2 Days	473257-60-2		$51.35-$288.42$51.35$63.37$86.31$288.42