ethyl 2-methyl-5-(trifluoromethanesulfonyloxy)-1H-indole-3-carboxylate

ethyl 2-methyl-5-(trifluoromethanesulfonyloxy)-1H-indole-3-carboxylate

CAS: 1796574-02-1

Formula: C13H12F3NO5S

SMILES: CCOC(=O)C1=C(C)NC2=CC=C(OS(=O)(=O)C(F)(F)F)C=C12

IUPAC: ethyl 2-methyl-5-(trifluoromethanesulfonyloxy)-1H-indole-3-carboxylate

InChI: InChI=1S/C13H12F3NO5S/c1-3-21-12(18)11-7(2)17-10-5-4-8(6-9(10)11)22-23(19,20)13(14,15)16/h4-6,17H,3H2,1-2H3

Composition: C (44.45%), H (3.44%), F (16.22%), N (3.99%), O (22.77%), S (9.13%)

Molar Mass: 351.3

Atom Count: 35

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	351.038828153
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LIPAMOPSEBTICP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.25
Topological Polar Surface Area	85.46
Polarizability	29.72
Ring Count	2
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	1796574-02-1		$51.35-$1,347.05$51.35$63.37$86.31$292.79$449.02$1,347.05