N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2-fluorobenzamide

N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2-fluorobenzamide

CAS: 159978-08-2

Formula: C11H5ClFN3OS

SMILES: FC1=C(C=CC=C1)C(=O)NC1=C(C#N)C(Cl)=NS1

IUPAC: N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2-fluorobenzamide

InChI: InChI=1S/C11H5ClFN3OS/c12-9-7(5-14)11(18-16-9)15-10(17)6-3-1-2-4-8(6)13/h1-4H,(H,15,17)

Composition: C (46.90%), H (1.79%), Cl (12.58%), F (6.74%), N (14.92%), O (5.68%), S (11.38%)

Molar Mass: 281.69

Atom Count: 23

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	280.9825888
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GSGQKLZWDQRFOO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.5
Topological Polar Surface Area	65.78
Polarizability	24.41
Ring Count	2
Rotatable Bond Count	2

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Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	159978-08-2		$51.35-$524.40$51.35$63.37$86.31$524.40