Home Halogens 5,5',6,6'-Tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanine iodide

5,5',6,6'-Tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanine iodide

CAS No.:
3520-43-2
Catalog Number:
AG00352I
Molecular Formula:
C25H27Cl4IN4
Molecular Weight:
652.2251
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥90%
1 week
United States
$133
- +
2mg
99%
1 week
United States
$190
- +
5mg
99%
1 week
United States
$307
- +
10mg
99%
1 week
United States
$473
- +
50mg
99%
1 week
United States
$1835
- +
Product Description
Catalog Number:
AG00352I
Chemical Name:
5,5',6,6'-Tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanine iodide
CAS Number:
3520-43-2
Molecular Formula:
C25H27Cl4IN4
Molecular Weight:
652.2251
MDL Number:
MFCD00188475
IUPAC Name:
5,6-dichloro-2-[(E)-3-(5,6-dichloro-1,3-diethylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-1,3-diethylbenzimidazole;iodide
InChI:
InChI=1S/C25H27Cl4N4.HI/c1-5-30-20-12-16(26)17(27)13-21(20)31(6-2)24(30)10-9-11-25-32(7-3)22-14-18(28)19(29)15-23(22)33(25)8-4;/h9-15H,5-8H2,1-4H3;1H/q+1;/p-1
InChI Key:
FYNNIUVBDKICAX-UHFFFAOYSA-M
SMILES:
CCn1c(=C/C=C/c2n(CC)c3c([n+]2CC)cc(c(c3)Cl)Cl)n(c2c1cc(Cl)c(c2)Cl)CC.[I-]
Properties
Complexity:
625  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
652.001g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
652.223g/mol
Monoisotopic Mass:
650.003g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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Properties