2-amino-4-(4-chlorophenyl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
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2-amino-4-(4-chlorophenyl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
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CAS No:
311318-18-0
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Formula:
C22H17ClN4O3
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Chemical Name:
2-amino-4-(4-chlorophenyl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
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Synonyms:
2-amino-4-(4-chlorophenyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile;2-amino-4-(4-chlorophenyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile;2-amino-4-(4-chlorophenyl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile;Oprea1_477878;STK754552;AKOS001712895;MCULE-7823110603;AG-205/10431012;SR-01000514580;SR-01000514580-1
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CAS No:
2-amino-4-(4-chlorophenyl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile Basic Attributes
420.854
420.098918 g/mol
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:420.8
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:420.0989181
Monoisotopic Mass:420.0989181
Topological Polar Surface Area:116
Heavy Atom Count:30
Complexity:844
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2-amino-4-(4-chlorophenyl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
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