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1-(4-chloro-3-nitrobenzenesulfonyl)-3,4-dihydro-2H-quinoline

1-(4-chloro-3-nitrobenzenesulfonyl)-3,4-dihydro-2H-quinoline

CAS: 847170-51-8

Formula: C15H13ClN2O4S

SMILES: [O-][N+](=O)C1=C(Cl)C=CC(=C1)S(=O)(=O)N1CCCC2=CC=CC=C12

IUPAC: 1-(4-chloro-3-nitrobenzenesulfonyl)-1,2,3,4-tetrahydroquinoline

InChI: InChI=1S/C15H13ClN2O4S/c16-13-8-7-12(10-15(13)18(19)20)23(21,22)17-9-3-5-11-4-1-2-6-14(11)17/h1-2,4,6-8,10H,3,5,9H2

Composition: C (51.07%), H (3.71%), Cl (10.05%), N (7.94%), O (18.14%), S (9.09%)

Molar Mass: 352.79

Atom Count: 36

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 352.0284558
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey LEQSFEFOQFAWKA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.82
Topological Polar Surface Area 80.52
Polarizability 33.81
Ring Count 3
Rotatable Bond Count 2

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