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IR-797 chloride

CAS No.:
110992-55-7
Catalog Number:
AG003R12
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003R12
Chemical Name:
IR-797 chloride
CAS Number:
110992-55-7
MDL Number:
MFCD03427060
IUPAC Name:
(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;chloride
InChI:
InChI=1S/C31H34ClN2.ClH/c1-30(2)23-11-7-9-13-25(23)33(5)27(30)19-17-21-15-16-22(29(21)32)18-20-28-31(3,4)24-12-8-10-14-26(24)34(28)6;/h7-14,17-20H,15-16H2,1-6H3;1H/q+1;/p-1
InChI Key:
OATKVFFCVUJOEX-UHFFFAOYSA-M
Properties
Complexity:
915  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3  
Exact Mass:
504.21g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
505.527g/mol
Monoisotopic Mass:
504.21g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
6.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties