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6370-85-0 | 2,2'-(6,6'-Bibenzothiazole-2,2'-diyl)bis(9,10-anthraquinone)
CAS No: 6370-85-0 Catalog No: AG00EPBP MDL No:
Product Description
Catalog Number:
AG00EPBP
Chemical Name:
2,2'-(6,6'-Bibenzothiazole-2,2'-diyl)bis(9,10-anthraquinone)
CAS Number:
6370-85-0
IUPAC Name:
2-[6-[2-(9,10-dioxoanthracen-2-yl)-1,3-benzothiazol-6-yl]-1,3-benzothiazol-2-yl]anthracene-9,10-dione
InChI:
InChI=1S/C42H20N2O4S2/c45-37-25-5-1-3-7-27(25)39(47)31-17-23(9-13-29(31)37)41-43-33-15-11-21(19-35(33)49-41)22-12-16-34-36(20-22)50-42(44-34)24-10-14-30-32(18-24)40(48)28-8-4-2-6-26(28)38(30)46/h1-20H
InChI Key:
ZINSEBXNJXSKIG-UHFFFAOYSA-N
EC Number:
613-342-6
Properties
Complexity:
1290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
680.086g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
680.752g/mol
Monoisotopic Mass:
680.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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