2-(4-fluorobenzenesulfonyl)-3-[1-(3-nitrobenzenesulfonyl)pyrrol-2-yl]prop-2-enenitrile

2-(4-fluorobenzenesulfonyl)-3-[1-(3-nitrobenzenesulfonyl)pyrrol-2-yl]prop-2-enenitrile

CAS: 1313613-09-0

Formula: C19H12FN3O6S2

SMILES: [O-][N+](=O)C1=CC=CC(=C1)S(=O)(=O)N1C=CC=C1C=C(C#N)S(=O)(=O)C1=CC=C(F)C=C1

IUPAC: 2-(4-fluorobenzenesulfonyl)-3-[1-(3-nitrobenzenesulfonyl)-1H-pyrrol-2-yl]prop-2-enenitrile

InChI: InChI=1S/C19H12FN3O6S2/c20-14-6-8-17(9-7-14)30(26,27)19(13-21)11-15-4-2-10-22(15)31(28,29)18-5-1-3-16(12-18)23(24)25/h1-12H

Composition: C (49.46%), H (2.62%), F (4.12%), N (9.11%), O (20.80%), S (13.90%)

Molar Mass: 461.44

Atom Count: 43

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	461.015155629
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
InChIKey	GUCUORSUHTZMBW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.75
Topological Polar Surface Area	140.14
Polarizability	42.29
Ring Count	3
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.16%	<7 Days	1313613-09-0		$86.02-$134.64$86.02$134.64