| CAS Number | 2006345-32-8 |
| Catalog Number | AG019EIV |
| Chemical Name | BDP TMR alkyne |
| IUPAC Name | 3-[2,2-difluoro-12-(4-methoxyphenyl)-4,6-dimethyl-1,3-diaza-2-boranuidatricyclo[7.3.0.03,7]dodeca-4,6,8,10-tetraen-5-yl]-N-prop-2-ynylpropanamide |
| InChI | InChI=1S/C24H25BF2N3O2/c1-5-14-28-24(31)13-11-21-16(2)23-15-19-8-12-22(18-6-9-20(32-4)10-7-18)30(19)25(26,27)29(23)17(21)3/h1,6-10,12,15,22H,11,13-14H2,2-4H3,(H,28,31)/q-1 |
| InChI Key | WCMVREBQYTUZKM-UHFFFAOYSA-N |
| MDL Number | MFCD31580107 |
| Molecular Formula | C24H24BF2N3O2 |
| Molecular Weight | 435.2741 |
| SMILES | O=C(NCC#C)CCC1=C(C2=CC3=CC=C(C4=CC=C(OC)C=C4)[N-]3[B+3]([F-])([F-])[N]2=C1C)C |
| Synonyms | 2006345-32-8,
BDP TMR alkyne,
|
| Complexity | 830 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 436.200789g/mol |
| Formal Charge | -1 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 436.3g/mol |
| Monoisotopic Mass | 436.200789g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 46.5Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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