| CAS Number | 121461-69-6 |
| Catalog Number | AG009WPI(AGN-PC-0PFNPC) |
| Chemical Name | [[(3,5-Dimethyl-4-sulfo-1H-pyrrol-2-yl)(3,5-dimethyl-4-sulfo-2H-pyrrol-2-ylidene)methyl]methane](difluoroborane) Disodium Salt |
| IUPAC Name | disodium;2,2-difluoro-4,6,8,10,12-pentamethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene-5,11-disulfonate |
| InChI | InChI=1S/C14H17BF2N2O6S2.2Na/c1-6-11-7(2)13(26(20,21)22)9(4)18(11)15(16,17)19-10(5)14(27(23,24)25)8(3)12(6)19;;/h1-5H3,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2 |
| InChI Key | FBAASMARNAYERO-UHFFFAOYSA-L |
| MDL Number | MFCD00467373 |
| Molecular Formula | C14H15BF2N2Na2O6S2 |
| Molecular Weight | 466.1960 |
| SMILES | [Na+].[Na+].CC1=C(C(C)=C(N1)C(CB(F)F)=C1/N=C(C)C(=C1C)S([O-])(=O)=O)S([O-])(=O)=O |
| Synonyms | [[(3,5-Dimethyl-4-sulfo-1H-pyrrol-2-yl)(3,5-dimethyl-4-sulfo-2H-pyrrol-2-ylidene)methyl]methane](difluoroborane) Disodium Salt,
121461-69-6,
MFCD00467373,
D4593,
Pyrromethene 556,
|
| Complexity | 933 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 466.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 466.188g/mol |
| Monoisotopic Mass | 466.023g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 139A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number