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144268-68-8 | 1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-bromo-2-(2-hydroperoxy-2-methoxyethyl)-
CAS No: 144268-68-8 Catalog No: AG001J7I MDL No:
Product Description
Catalog Number:
AG001J7I
Chemical Name:
1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-bromo-2-(2-hydroperoxy-2-methoxyethyl)-
CAS Number:
144268-68-8
Molecular Formula:
C15H12BrNO5
Molecular Weight:
366.1635
IUPAC Name:
6-bromo-2-(2-hydroperoxy-2-methoxyethyl)benzo[de]isoquinoline-1,3-dione
InChI:
InChI=1S/C15H12BrNO5/c1-21-12(22-20)7-17-14(18)9-4-2-3-8-11(16)6-5-10(13(8)9)15(17)19/h2-6,12,20H,7H2,1H3
InChI Key:
NHRUFXGMWGYABK-UHFFFAOYSA-N
SMILES:
COC(Cn1c(=O)c2cccc3c2c(c1=O)ccc3Br)OO
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.99g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.167g/mol
Monoisotopic Mass:
364.99g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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