AC1NERK5 structure

AC1NERK5

(4-chloro-3-nitrophenyl)-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone

Also Known As: Oprea1_346995|2-(4-chloro-3-nitrobenzoyl)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline|F0535-0675|(4-chloro-3-nitrophenyl)(6,7-dimethoxy-1-((4-nitrophenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)methanone|(4-chloro-3-nitrophenyl)-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone

CAS: 449766-01-2
Molecular Formula C25H22ClN3O8
Molecular Weight 527.10956 g/mol
LogP 4.9922
Topological Polar Surface Area 134.28 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
Rotatable Bonds 8
Exact Mass 527.10956
Monoisotopic Mass 527.10956
Heavy Atoms 37
Complexity 1362.788

Chemical Identifiers

CAS Number 449766-01-2
SMILES COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])COC4=CC=C(C=C4)[N+](=O)[O-])OC

Product Overview

AC1NERK5 (CAS 449766-01-2), with molecular formula C25H22ClN3O8 and molecular weight 527.10956 g/mol. IUPAC: (4-chloro-3-nitrophenyl)-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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