| CAS Number | 2042193-77-9 |
| Catalog Number | AG019EJM |
| Chemical Name | BDP FL methyltetrazine |
| IUPAC Name | 3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide |
| InChI | InChI=1S/C24H24BF2N7O/c1-15-12-16(2)33-22(15)13-21-9-8-20(34(21)25(33,26)27)10-11-23(35)28-14-18-4-6-19(7-5-18)24-31-29-17(3)30-32-24/h4-9,12-13H,10-11,14H2,1-3H3,(H,28,35) |
| InChI Key | ZDYCNCTWMHFBDF-UHFFFAOYSA-N |
| MDL Number | MFCD31580080 |
| Molecular Formula | C24H24BF2N7O |
| Molecular Weight | 475.3015 |
| SMILES | [B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)NCC4=CC=C(C=C4)C5=NN=C(N=N5)C)C)C)(F)F |
| Synonyms | BDP FL methyltetrazine,
BP-23945,
2042193-77-9,
|
| Complexity | 910 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 475.210345g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 475.3g/mol |
| Monoisotopic Mass | 475.210345g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 88.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number