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116307-20-1 | 2,2'-Bibenzothiazole, 6,6'-dinitro-
CAS No: 116307-20-1 Catalog No: AG000C58 MDL No:
Product Description
Catalog Number:
AG000C58
Chemical Name:
2,2'-Bibenzothiazole, 6,6'-dinitro-
CAS Number:
116307-20-1
Molecular Formula:
C14H6N4O4S2
Molecular Weight:
358.3518
IUPAC Name:
6-nitro-2-(6-nitro-1,3-benzothiazol-2-yl)-1,3-benzothiazole
InChI:
InChI=1S/C14H6N4O4S2/c19-17(20)7-1-3-9-11(5-7)23-13(15-9)14-16-10-4-2-8(18(21)22)6-12(10)24-14/h1-6H
InChI Key:
URMODYDMYNBNLB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.983g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.346g/mol
Monoisotopic Mass:
357.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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