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Ir-775 chloride

CAS No.:
199444-11-6
Catalog Number:
AG002C43
Molecular Formula:
C32H36Cl2N2
Molecular Weight:
519.5476
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>90.0%(N)
1 week
United States
$239
- +
Product Description
Catalog Number:
AG002C43
Chemical Name:
Ir-775 chloride
CAS Number:
199444-11-6
Molecular Formula:
C32H36Cl2N2
Molecular Weight:
519.5476
MDL Number:
MFCD03427067
IUPAC Name:
(2Z)-2-[(2Z)-2-[2-chloro-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;chloride
InChI:
InChI=1S/C32H36ClN2.ClH/c1-31(2)24-14-7-9-16-26(24)34(5)28(31)20-18-22-12-11-13-23(30(22)33)19-21-29-32(3,4)25-15-8-10-17-27(25)35(29)6;/h7-10,14-21H,11-13H2,1-6H3;1H/q+1;/p-1
InChI Key:
BPSIJFMUSNMMAL-UHFFFAOYSA-M
SMILES:
ClC1=C(CCCC1=CC=C1N(C)c2c(C1(C)C)cccc2)C=CC1=[N+](C)c2c(C1(C)C)cccc2.[Cl-]
Properties
Complexity:
931  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3  
Exact Mass:
518.226g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
519.554g/mol
Monoisotopic Mass:
518.226g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
6.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties