2-nitronaphthalen-1-yl trifluoromethanesulfonate

2-nitronaphthalen-1-yl trifluoromethanesulfonate

Formula: C11H6F3NO5S

SMILES: [O-][N+](=O)C1=CC=C2C=CC=CC2=C1OS(=O)(=O)C(F)(F)F

IUPAC: 2-nitronaphthalen-1-yl trifluoromethanesulfonate

InChI: InChI=1S/C11H6F3NO5S/c12-11(13,14)21(18,19)20-10-8-4-2-1-3-7(8)5-6-9(10)15(16)17/h1-6H

Composition: C (41.13%), H (1.88%), F (17.74%), N (4.36%), O (24.90%), S (9.98%)

Molar Mass: 321.23

Atom Count: 27

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	320.99187796
Formal Charge	0
FSP3	0.09
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	HRNRMRBZDUOXPS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.01
Topological Polar Surface Area	86.51
Polarizability	25.92
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C11H6F3NO5S		Quote Only