| CAS Number | 138026-71-8 |
| Catalog Number | AG009EFR(AGN-PC-0PM1NV) |
| Chemical Name | Dipyrrometheneboron Difluoride |
| IUPAC Name | 2,2-difluoro-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene |
| InChI | InChI=1S/C9H7BF2N2/c11-10(12)13-5-1-3-8(13)7-9-4-2-6-14(9)10/h1-7H |
| InChI Key | GUHHEAYOTAJBPT-UHFFFAOYSA-N |
| MDL Number | MFCD28900758 |
| Molecular Formula | C9H7BF2N2 |
| Molecular Weight | 191.9731 |
| SMILES | F[B-]([N+]1=CC=CC1=C2)(F)N3C2=CC=C3 |
| Synonyms | 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene,
BODIPY,
BODIPY,
CHEBI:51107,
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene,
Dipyrrometheneboron Difluoride,
SCHEMBL1058513,
CHEMBL3343406,
GUHHEAYOTAJBPT-UHFFFAOYSA-N,
138026-71-8,
4,4-Difluoro-3a-azonia-4a-aza-4-bora(V)-s-indacene-4-ide,
difluoro{2-[(2H-pyrrol-2-ylidene-kappaN)methyl]-1H-pyrrolato-kappaN}boron,
C095489,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.976g/mol |
| Monoisotopic Mass | 192.067g/mol |
| Rotatable Bond Count | 0 |
| 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