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25015-57-0 | 6H-Dipyrido[1,2-a:2',1'-c][1,4]diazepinediium, 7,8-dihydro-, iodide (1:2)
CAS No: 25015-57-0 Catalog No: AG002Q6M MDL No:
Product Description
Catalog Number:
AG002Q6M
Chemical Name:
6H-Dipyrido[1,2-a:2',1'-c][1,4]diazepinediium, 7,8-dihydro-, iodide (1:2)
CAS Number:
25015-57-0
Molecular Formula:
C13H14I2N2
Molecular Weight:
452.0726
IUPAC Name:
7,11-diazoniatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene;diiodide
InChI:
InChI=1S/C13H14N2.2HI/c1-3-8-14-10-5-11-15-9-4-2-7-13(15)12(14)6-1;;/h1-4,6-9H,5,10-11H2;2*1H/q+2;;/p-2
InChI Key:
FMCGKFWPKFOPME-UHFFFAOYSA-L
SMILES:
c1cc[n+]2c(c1)c1cccc[n+]1CCC2.[I-].[I-]
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.925g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.078g/mol
Monoisotopic Mass:
451.925g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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