| CAS Number | 208462-25-3 |
| Catalog Number | AG00C331(AGN-PC-0QWNHL) |
| Chemical Name | Bodipy 8-Chloromethane |
| IUPAC Name | 8-(chloromethyl)-2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene |
| InChI | InChI=1S/C14H16BClF2N2/c1-8-5-10(3)19-13(8)12(7-16)14-9(2)6-11(4)20(14)15(19,17)18/h5-6H,7H2,1-4H3 |
| InChI Key | PFXASTXHAMZMNO-UHFFFAOYSA-N |
| MDL Number | MFCD00467169 |
| Molecular Formula | C14H16BClF2N2 |
| Molecular Weight | 296.5510 |
| SMILES | ClCC=1C=2N([B-]([N+]=3C1C(=CC3C)C)(F)F)C(=CC2C)C |
| Synonyms | Bodipy 8-Chloromethane,
208462-25-3,
AGN-PC-0NI0KZ,
DTXSID40479458,
FT-0663580,
(T-4)-[2-[2-Chloro-1-(3,5-dimethyl-2H-pyrrol-2-ylidene-|EN)ethyl]-3,5-dimethyl-1H-pyrrolato-|EN]difluoro-boron,
|
| Complexity | 525 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.553g/mol |
| Monoisotopic Mass | 296.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 7.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number