| CAS Number | 157410-23-6 |
| Catalog Number | AG00IMKJ(AGN-PC-0Q7AS4) |
| Chemical Name | Boron,difluoro[3,4,5-trimethyl-a-(3,4,5-trimethyl-2H-pyrrol-2-ylidene-kN)-1H-pyrrole-2-acetonitrilato-kN1]-, (T-4)- |
| IUPAC Name | 2,2-difluoro-4,5,6,10,11,12-hexamethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene-8-carbonitrile |
| InChI | InChI=1S/C16H18BF2N3/c1-8-10(3)15-14(7-20)16-11(4)9(2)13(6)22(16)17(18,19)21(15)12(8)5/h1-6H3 |
| InChI Key | LXNVCQRKLGCOPW-UHFFFAOYSA-N |
| MDL Number | MFCD29472554 |
| Molecular Formula | C16H18BF2N3 |
| Molecular Weight | 301.1420 |
| SMILES | N#CC1=C2C(=C(C(=[N]2[B+3]([F-])([F-])[N-]3C1=C(C(=C3C)C)C)C)C)C |
| Synonyms | PM650,
pyrromethene 650,
[[(3,4,5-Trimethyl-1H-pyrrol-2-yl)(3,4,5-trimethyl-2H-pyrrol-2-ylidene)methyl]carbonitrile](difluoroborane),
Pyrromethene 650,
1,2,3,5,6,7-Hexamethyl-8-cyano-4,4-difluoro-3a-azonia-4a-aza-4-bora(V)-s-indacene-4-ide,
157410-23-6,
T3127,
|
| Complexity | 663 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.156184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.1g/mol |
| Monoisotopic Mass | 301.156184g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 31.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number