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

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

CAS: 159978-26-4

Formula: C11H6ClN3OS

SMILES: ClC1=NSC(NC(=O)C2=CC=CC=C2)=C1C#N

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

InChI: InChI=1S/C11H6ClN3OS/c12-9-8(6-13)11(17-15-9)14-10(16)7-4-2-1-3-5-7/h1-5H,(H,14,16)

Composition: C (50.10%), H (2.29%), Cl (13.44%), N (15.94%), O (6.07%), S (12.16%)

Molar Mass: 263.7

Atom Count: 23

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 262.9920107
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey TXHCVDNWWWKMRH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.28
Topological Polar Surface Area 65.78
Polarizability 24.62
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 159978-26-4 $51.35-$524.40$51.35$63.37$86.31$524.40
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