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81-58-3 | 9,10-Anthracenedione,1,4,5,8-tetrachloro-
CAS No: 81-58-3 Catalog No: AG0058EI MDL No:MFCD00035801
Product Description
Catalog Number:
AG0058EI
Chemical Name:
9,10-Anthracenedione,1,4,5,8-tetrachloro-
CAS Number:
81-58-3
Molecular Formula:
C14H4Cl4O2
Molecular Weight:
345.9924
MDL Number:
MFCD00035801
IUPAC Name:
1,4,5,8-tetrachloroanthracene-9,10-dione
InChI:
InChI=1S/C14H4Cl4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H
InChI Key:
DUJPMUKIEFLXRE-UHFFFAOYSA-N
SMILES:
O=C1c2c(Cl)ccc(c2C(=O)c2c1c(Cl)ccc2Cl)Cl
EC Number:
201-362-4
NSC Number:
513487
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.894g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.984g/mol
Monoisotopic Mass:
343.897g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Literature
| Title | Journal |
|---|---|
| The structure activity relationship of non-dissolved redox mediators during azo dye bio-decolorization processes. | Bioresource technology 20120501 |
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