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137313-63-4 | 5,12-Naphthacenedione, 2,3,6,8,9,11-hexachloro-
CAS No: 137313-63-4 Catalog No: AG001339 MDL No:
Product Description
Catalog Number:
AG001339
Chemical Name:
5,12-Naphthacenedione, 2,3,6,8,9,11-hexachloro-
CAS Number:
137313-63-4
Molecular Formula:
C18H4Cl6O2
Molecular Weight:
464.9412
IUPAC Name:
2,3,6,8,9,11-hexachlorotetracene-5,12-dione
InChI:
InChI=1S/C18H4Cl6O2/c19-9-1-5-6(2-10(9)20)16(24)14-13(15(5)23)17(25)7-3-11(21)12(22)4-8(7)18(14)26/h1-4H
InChI Key:
GJIFEPVHEMUXOB-UHFFFAOYSA-N
SMILES:
Clc1cc2c(cc1Cl)C(=O)c1c(C2=O)c(Cl)c2c(c1Cl)cc(c(c2)Cl)Cl
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.831g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
464.928g/mol
Monoisotopic Mass:
461.834g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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