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1239327-73-1 | Benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, 4,9-dibromo-2,7-dihexyl-
CAS No: 1239327-73-1 Catalog No: AG000L8C MDL No:
Product Description
Catalog Number:
AG000L8C
Chemical Name:
Benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, 4,9-dibromo-2,7-dihexyl-
CAS Number:
1239327-73-1
Molecular Formula:
C26H28Br2N2O4
Molecular Weight:
592.3195
IUPAC Name:
2,9-dibromo-6,13-dihexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
InChI:
InChI=1S/C26H28Br2N2O4/c1-3-5-7-9-11-29-23(31)15-13-18(28)22-20-16(14-17(27)21(19(15)20)25(29)33)24(32)30(26(22)34)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChI Key:
VMGCOHAXJKXGCC-UHFFFAOYSA-N
SMILES:
CCCCCCn1c(=O)c2cc(Br)c3c4c2c(c1=O)c(Br)cc4c(=O)n(c3=O)CCCCCC
Properties
Complexity:
755
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
592.04g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
592.328g/mol
Monoisotopic Mass:
590.042g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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