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1445-97-2 | Pyridinium, 1,1'-(6-methoxy-1,3,5-triazine-2,4-diyl)bis-, dichloride (9CI)
CAS No: 1445-97-2 Catalog No: AG001JOC MDL No:
Product Description
Catalog Number:
AG001JOC
Chemical Name:
Pyridinium, 1,1'-(6-methoxy-1,3,5-triazine-2,4-diyl)bis-, dichloride (9CI)
CAS Number:
1445-97-2
Molecular Formula:
C14H13Cl2N5O
Molecular Weight:
338.1919
IUPAC Name:
2-methoxy-4,6-di(pyridin-1-ium-1-yl)-1,3,5-triazine;dichloride
InChI:
InChI=1S/C14H13N5O.2ClH/c1-20-14-16-12(18-8-4-2-5-9-18)15-13(17-14)19-10-6-3-7-11-19;;/h2-11H,1H3;2*1H/q+2;;/p-2
InChI Key:
ZGLITJNQGIMGDB-UHFFFAOYSA-L
SMILES:
COc1nc(nc(n1)[n+]1ccccc1)[n+]1ccccc1.[Cl-].[Cl-]
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.05g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.192g/mol
Monoisotopic Mass:
337.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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