[2-benzoyl-1-[(4-bromophenyl)methyl]-1-cyanoisoquinolin-7-yl] benzoate
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[2-benzoyl-1-[(4-bromophenyl)methyl]-1-cyanoisoquinolin-7-yl] benzoate
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CAS No:
67335-03-9
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Formula:
C31H21BrN2O3
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Chemical Name:
[2-benzoyl-1-[(4-bromophenyl)methyl]-1-cyanoisoquinolin-7-yl] benzoate
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Synonyms:
67335-03-9;2-benzoyl-1-(4-bromobenzyl)-1-cyano-1,2-dihydroisoquinolin-7-yl benzoate;NSC160866;DTXSID30303738;NSC-160866
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CAS No:
[2-benzoyl-1-[(4-bromophenyl)methyl]-1-cyanoisoquinolin-7-yl] benzoate Basic Attributes
549.4 g/mol
548.07356 g/mol
160866
DTXSID30303738
Computed Properties
Molecular Weight:549.4
XLogP3:6.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:548.07356
Monoisotopic Mass:548.07356
Topological Polar Surface Area:70.4
Heavy Atom Count:37
Complexity:891
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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