| CAS Number | 1193447-34-5 |
| Catalog Number | AG0097A1(AGN-PC-0WP044) |
| Chemical Name | CRANAD2 |
| IUPAC Name | [4-[(2Z)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,2-difluoro-1,3-dioxa-2-boranuidacyclohex-5-en-4-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium |
| InChI | InChI=1S/C23H25BF2N2O2/c1-27(2)20-11-5-18(6-12-20)9-15-22-17-23(30-24(25,26)29-22)16-10-19-7-13-21(14-8-19)28(3)4/h5-17H,1-4H3 |
| InChI Key | PVXQJYXODFZTBR-UHFFFAOYSA-N |
| MDL Number | MFCD25563253 |
| Molecular Formula | C23H25BF2N2O2 |
| Molecular Weight | 410.2646 |
| SMILES | CN(C)C(C=C1)=CC=C1/C=C/C2=O[B+3]([F-])([F-])O=C(/C=C/C3=CC=C(C=C3)N(C)C)[CH-]2 |
| Synonyms | CRANAD 2,
1193447-34-5,
PVXQJYXODFZTBR-UHFFFAOYSA-N,
|
| Complexity | 777 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 410.198g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 410.272g/mol |
| Monoisotopic Mass | 410.198g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 24.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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