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99824-15-4 | Pyridazinium, 1,2-bis(oxiranylmethyl)-, dichloride
CAS No: 99824-15-4 Catalog No: AG003W7K MDL No:
Product Description
Catalog Number:
AG003W7K
Chemical Name:
Pyridazinium, 1,2-bis(oxiranylmethyl)-, dichloride
CAS Number:
99824-15-4
Molecular Formula:
C20H30Cl2N4O4
Molecular Weight:
461.3826
IUPAC Name:
1,2-bis(oxiran-2-ylmethyl)-1H-pyridazin-1-ium;dichloride
InChI:
InChI=1S/2C10H14N2O2.2ClH/c2*1-2-4-12(6-10-8-14-10)11(3-1)5-9-7-13-9;;/h2*1-4,9-10H,5-8H2;2*1H
InChI Key:
PLONTKGVRBGTHC-UHFFFAOYSA-N
SMILES:
C1=CN([NH+](C=C1)CC1CO1)CC1CO1.C1=CN([NH+](C=C1)CC1CO1)CC1CO1.[Cl-].[Cl-]
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.164g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
461.384g/mol
Monoisotopic Mass:
460.164g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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