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63451-29-6 | 3-(2-PYRIDYL)-5 6-DIPHENYL-1 2 4-TRIAZI&
CAS No: 63451-29-6 Catalog No: AG00ELLK MDL No:MFCD00150796
Product Description
Catalog Number:
AG00ELLK
Chemical Name:
3-(2-PYRIDYL)-5 6-DIPHENYL-1 2 4-TRIAZI&
CAS Number:
63451-29-6
MDL Number:
MFCD00150796
IUPAC Name:
sodium;4-[3-pyridin-2-yl-6-(4-sulfophenyl)-1,2,4-triazin-5-yl]benzenesulfonate;hydrate
InChI:
InChI=1S/C20H14N4O6S2.Na.H2O/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17;;/h1-12H,(H,25,26,27)(H,28,29,30);;1H2/q;+1;/p-1
InChI Key:
MBOKSYFCYXIJRZ-UHFFFAOYSA-M
EC Number:
274-196-3
Properties
Complexity:
834
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
510.028g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
510.471g/mol
Monoisotopic Mass:
510.028g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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