| CAS Number | 2183512-02-7 |
| Catalog Number | AG019EJG |
| Chemical Name | BDP 630/650 carboxylic acid |
| IUPAC Name | 2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]acetic acid |
| InChI | InChI=1S/C23H17BF2N2O3S/c25-24(26)27-17(6-3-16-4-10-20(11-5-16)31-15-23(29)30)7-8-18(27)14-19-9-12-21(28(19)24)22-2-1-13-32-22/h1-14H,15H2,(H,29,30)/b6-3+ |
| InChI Key | NPYDYOGYLPDKRP-ZZXKWVIFSA-N |
| MDL Number | MFCD31580086 |
| Molecular Formula | C23H16BF2N2O3S |
| Molecular Weight | 450.2655 |
| SMILES | [H+].O=C([O-])COC1=CC=C(C=C1)C=CC2=CC=C3C=C4C=CC(C=5SC=CC5)=[N]4[B+3]([F-])([F-])[N-]23 |
| Synonyms | BDP 630/650 carboxylic acid,
BP-23939,
2183512-02-7,
|
| Complexity | 883 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 450.1021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 450.3g/mol |
| Monoisotopic Mass | 450.1021g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 82.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number