Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,5,12-dibromo-2,9-dioctyl-


Chemical Name: Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,5,12-dibromo-2,9-dioctyl-
CAS Number: 209111-67-1
Product Number: AG00BHIE(AGN-PC-0QWR46)
Synonyms:
MDL No:
Molecular Formula: C40H40Br2N2O4
Molecular Weight: 772.5646

Identification/Properties


Computed Properties
Molecular Weight:
772.578g/mol
XLogP3:
11.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
14
Exact Mass:
772.133g/mol
Monoisotopic Mass:
770.135g/mol
Topological Polar Surface Area:
74.8A^2
Heavy Atom Count:
48
Formal Charge:
0
Complexity:
1140
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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