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737763-37-0 | 360 A iodide
CAS No: 737763-37-0 Catalog No: AG00FBYN MDL No:
Product Description
Catalog Number:
AG00FBYN
Chemical Name:
360 A iodide
CAS Number:
737763-37-0
Molecular Formula:
C27H23I2N5O2
Molecular Weight:
703.3128
IUPAC Name:
2-N,6-N-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide;diiodide
InChI:
InChI=1S/C27H21N5O2.2HI/c1-31-16-20(14-18-8-3-5-12-24(18)31)28-26(33)22-10-7-11-23(30-22)27(34)29-21-15-19-9-4-6-13-25(19)32(2)17-21;;/h3-17H,1-2H3;2*1H
InChI Key:
CYDYPTJPHHNFEL-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(n1)C(=O)Nc1c[n+](C)c2c(c1)cccc2)Nc1c[n+](C)c2c(c1)cccc2.[I-].[I-]
Properties
Complexity:
674
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
702.994g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
703.323g/mol
Monoisotopic Mass:
702.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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