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2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chloro-3-nitrophenyl)iminomethyl]-3-hydroxyisoquinolin-1-one
2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chloro-3-nitrophenyl)iminomethyl]-3-hydroxyisoquinolin-1-one
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![2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chloro-3-nitrophenyl)iminomethyl]-3-hydroxyisoquinolin-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/38197b91f378405eb180c2bf7aae496d.png "2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chloro-3-nitrophenyl)iminomethyl]-3-hydroxyisoquinolin-1-one")
2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chloro-3-nitrophenyl)iminomethyl]-3-hydroxyisoquinolin-1-one
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CAS No:
499185-84-1
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Formula:
C24H16ClN3O6
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Chemical Name:
2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chloro-3-nitrophenyl)iminomethyl]-3-hydroxyisoquinolin-1-one
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Synonyms:
AKOS034157499;MCULE-2962741252;Z31286037;2-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[(4-chloro-3-nitrophenyl)amino]methylidene}-1,2,3,4-tetrahydroisoquinoline-1,3-dione;499185-84-1
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CAS No:
2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chloro-3-nitrophenyl)iminomethyl]-3-hydroxyisoquinolin-1-one Basic Attributes
477.9 g/mol
477.0727629 g/mol
Computed Properties
Molecular Weight:477.9
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:477.0727629
Monoisotopic Mass:477.0727629
Topological Polar Surface Area:117
Heavy Atom Count:34
Complexity:860
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chloro-3-nitrophenyl)iminomethyl]-3-hydroxyisoquinolin-1-one
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