3-{[4-(difluoromethyl)-3-hydroxy-1,1-dioxo-1??-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile

3-{[4-(difluoromethyl)-3-hydroxy-1,1-dioxo-1??-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile

CAS: 1799949-66-8

Formula: C16H8F3NO4S

SMILES: OC1=CS(=O)(=O)C2=CC=C(OC3=CC(F)=CC(=C3)C#N)C(C(F)F)=C12

IUPAC: 3-{[4-(difluoromethyl)-3-hydroxy-1,1-dioxo-1??-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile

InChI: InChI=1S/C16H8F3NO4S/c17-9-3-8(6-20)4-10(5-9)24-12-1-2-13-14(15(12)16(18)19)11(21)7-25(13,22)23/h1-5,7,16,21H

Composition: C (52.32%), H (2.20%), F (15.52%), N (3.81%), O (17.42%), S (8.73%)

Molar Mass: 367.3

Atom Count: 33

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	367.012613405
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OTWGMVOWTJJNTA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.46
Topological Polar Surface Area	87.39
Polarizability	31.16
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1799949-66-8		$712.47-$1,124.81$712.47$1,124.81