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115662-06-1 | Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 5,6,12,13-tetrachloro-
CAS No: 115662-06-1 Catalog No: AG000GP2 MDL No:
Product Description
Catalog Number:
AG000GP2
Chemical Name:
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 5,6,12,13-tetrachloro-
CAS Number:
115662-06-1
Molecular Formula:
C24H6Cl4N2O4
Molecular Weight:
528.1274
IUPAC Name:
11,14,22,26-tetrachloro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
InChI:
InChI=1S/C24H6Cl4N2O4/c25-9-1-5-13-6(22(32)29-21(5)31)2-11(27)17-18-12(28)4-8-14-7(23(33)30-24(8)34)3-10(26)16(20(14)18)15(9)19(13)17/h1-4H,(H,29,31,32)(H,30,33,34)
InChI Key:
SOGFVOVSOPPQPF-UHFFFAOYSA-N
SMILES:
Clc1cc2c(=O)[nH]c(=O)c3c2c2c1c1c(Cl)cc4c5c1c(c2c(c3)Cl)c(Cl)cc5c(=O)[nH]c4=O
EC Number:
405-100-1
Properties
Complexity:
860
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
527.905g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
528.122g/mol
Monoisotopic Mass:
525.908g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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