| CAS Number | 1030632-69-9 |
| Catalog Number | AG01DH2P(AGN-PC-0H19SV) |
| Chemical Name | Di-tert-butyl 3,3'-(2,7-dibromo-9H-fluorene-9,9-diyl)dipropanoate |
| IUPAC Name | tert-butyl 3-[2,7-dibromo-9-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]fluoren-9-yl]propanoate |
| InChI | InChI=1S/C27H32Br2O4/c1-25(2,3)32-23(30)11-13-27(14-12-24(31)33-26(4,5)6)21-15-17(28)7-9-19(21)20-10-8-18(29)16-22(20)27/h7-10,15-16H,11-14H2,1-6H3 |
| InChI Key | HGJRNYFVJMAKSY-UHFFFAOYSA-N |
| MDL Number | MFCD30471986 |
| Molecular Formula | C27H32Br2O4 |
| Molecular Weight | 580.3486 |
| SMILES | BrC1=CC=2C(C3=CC(=CC=C3C2C=C1)Br)(CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C |
| Synonyms | Di-tert-butyl 3,3'-(2,7-dibromo-9H-fluorene-9,9-diyl)dipropanoate,
1030632-69-9,
SCHEMBL41587,
MFCD30471986,
AKOS030628262,
ZINC112986036,
2,7-Dibromo-9H-fluorene 9,9-dipropionic acid ditert-butyl ester,
Di-t-butyl 3,3'-(2,7-dibromo-9H-fluorene-9,9-diyl)dipropanoate,
N/A,
|
| Complexity | 648 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 580.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 580.357g/mol |
| Monoisotopic Mass | 578.067g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number