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2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride

2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride

CAS: 66657-42-9

Formula: C9H8ClNO3S

SMILES: ClS(=O)(=O)C1=CC=C2NC(=O)CCC2=C1

IUPAC: 2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl chloride

InChI: InChI=1S/C9H8ClNO3S/c10-15(13,14)7-2-3-8-6(5-7)1-4-9(12)11-8/h2-3,5H,1,4H2,(H,11,12)

Composition: C (44.00%), H (3.28%), Cl (14.43%), N (5.70%), O (19.54%), S (13.05%)

Molar Mass: 245.68

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 244.991342
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ICRHXBNAKSHNRD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.38
Topological Polar Surface Area 63.24
Polarizability 22.46
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 66657-42-9 $148.50-$1,643.40$148.50$242.55$335.61$671.22$1,006.83$1,643.40
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