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1315605-26-5 | Benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, 4-bromo-2,7-dihexyl-
CAS No: 1315605-26-5 Catalog No: AG000ZFT MDL No:
Product Description
Catalog Number:
AG000ZFT
Chemical Name:
Benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, 4-bromo-2,7-dihexyl-
CAS Number:
1315605-26-5
Molecular Formula:
C26H29BrN2O4
Molecular Weight:
513.4235
IUPAC Name:
2-bromo-6,13-dihexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
InChI:
InChI=1S/C26H29BrN2O4/c1-3-5-7-9-13-28-23(30)16-11-12-17-21-20(16)18(25(28)32)15-19(27)22(21)26(33)29(24(17)31)14-10-8-6-4-2/h11-12,15H,3-10,13-14H2,1-2H3
InChI Key:
UZYKLXISGJDWHX-UHFFFAOYSA-N
SMILES:
CCCCCCn1c(=O)c2ccc3c4c2c(c1=O)cc(c4c(=O)n(c3=O)CCCCCC)Br
Properties
Complexity:
786
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.131g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
513.432g/mol
Monoisotopic Mass:
512.131g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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