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76948-54-4 | 2,4,6-Tris[4-(4-sulfophenyl)-2-pyridyl]-1,3,5-triazine
CAS No: 76948-54-4 Catalog No: AG00GGM2 MDL No:
Product Description
Catalog Number:
AG00GGM2
Chemical Name:
2,4,6-Tris[4-(4-sulfophenyl)-2-pyridyl]-1,3,5-triazine
CAS Number:
76948-54-4
IUPAC Name:
4-[2-[4,6-bis[4-(4-sulfophenyl)pyridin-2-yl]-1,3,5-triazin-2-yl]pyridin-4-yl]benzenesulfonic acid
InChI:
InChI=1S/C36H24N6O9S3/c43-52(44,45)28-7-1-22(2-8-28)25-13-16-37-31(19-25)34-40-35(32-20-26(14-17-38-32)23-3-9-29(10-4-23)53(46,47)48)42-36(41-34)33-21-27(15-18-39-33)24-5-11-30(12-6-24)54(49,50)51/h1-21H,(H,43,44,45)(H,46,47,48)(H,49,50,51)
InChI Key:
SBWLVFIEZOFPOM-UHFFFAOYSA-N
Properties
Complexity:
1370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
780.077g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
780.801g/mol
Monoisotopic Mass:
780.077g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
266A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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