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39951-80-9 | N,N'-[[5-(benzothiazol-2-yl)-4-hydroxy-1,3-phenylene]bis(methylene)]bisphthalimide
CAS No: 39951-80-9 Catalog No: AG00D48J MDL No:
Product Description
Catalog Number:
AG00D48J
Chemical Name:
N,N'-[[5-(benzothiazol-2-yl)-4-hydroxy-1,3-phenylene]bis(methylene)]bisphthalimide
CAS Number:
39951-80-9
IUPAC Name:
2-[[3-(1,3-benzothiazol-2-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-4-hydroxyphenyl]methyl]isoindole-1,3-dione
InChI:
InChI=1S/C31H19N3O5S/c35-26-18(16-34-30(38)21-9-3-4-10-22(21)31(34)39)13-17(14-23(26)27-32-24-11-5-6-12-25(24)40-27)15-33-28(36)19-7-1-2-8-20(19)29(33)37/h1-14,35H,15-16H2
InChI Key:
XSHSFYWQOREZSK-UHFFFAOYSA-N
EC Number:
254-714-4
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
545.105g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
545.569g/mol
Monoisotopic Mass:
545.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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