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82381-65-5 | Pyridinium, 3-carbamoyl-1,1-(oxydimethylene)di-, dichloride
CAS No: 82381-65-5 Catalog No: AG004X1G MDL No:
Product Description
Catalog Number:
AG004X1G
Chemical Name:
Pyridinium, 3-carbamoyl-1,1-(oxydimethylene)di-, dichloride
CAS Number:
82381-65-5
Molecular Formula:
C13H15Cl2N3O2
Molecular Weight:
316.1831
IUPAC Name:
1-(pyridin-1-ium-1-ylmethoxymethyl)pyridin-1-ium-3-carboxamide;dichloride
InChI:
InChI=1S/C13H14N3O2.2ClH/c14-13(17)12-5-4-8-16(9-12)11-18-10-15-6-2-1-3-7-15;;/h1-9H,10-11H2,(H-,14,17);2*1H/q+1;;/p-1
InChI Key:
KFMUKOKCVNTZHD-UHFFFAOYSA-M
SMILES:
NC(=O)c1ccc[n+](c1)COC[n+]1ccccc1.[Cl-].[Cl-]
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.182g/mol
Monoisotopic Mass:
315.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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