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86289-23-8 | Pyridinium, 1,1'-(3-chloro-1,2-indolizinediyl)bis-, dichloride
CAS No: 86289-23-8 Catalog No: AG004MRZ MDL No:
Product Description
Catalog Number:
AG004MRZ
Chemical Name:
Pyridinium, 1,1'-(3-chloro-1,2-indolizinediyl)bis-, dichloride
CAS Number:
86289-23-8
Molecular Formula:
C18H14Cl3N3
Molecular Weight:
378.6829
IUPAC Name:
3-chloro-1,2-di(pyridin-1-ium-1-yl)indolizine;dichloride
InChI:
InChI=1S/C18H14ClN3.2ClH/c19-18-17(21-12-6-2-7-13-21)16(20-10-4-1-5-11-20)15-9-3-8-14-22(15)18;;/h1-14H;2*1H/q+2;;/p-2
InChI Key:
WDKNAVIYROOJSM-UHFFFAOYSA-L
SMILES:
Clc1n2ccccc2c(c1[n+]1ccccc1)[n+]1ccccc1.[Cl-].[Cl-]
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.025g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.681g/mol
Monoisotopic Mass:
377.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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