| CAS Number | 94257-59-7 |
| Catalog Number | AG01DGOH(AGN-PC-0CF1AS) |
| Chemical Name | 3,3'-(2,7-Dibromo-9H-fluorene-9,9-diyl)dipropanoic acid |
| IUPAC Name | 3-[2,7-dibromo-9-(2-carboxyethyl)fluoren-9-yl]propanoic acid |
| InChI | InChI=1S/C19H16Br2O4/c20-11-1-3-13-14-4-2-12(21)10-16(14)19(15(13)9-11,7-5-17(22)23)8-6-18(24)25/h1-4,9-10H,5-8H2,(H,22,23)(H,24,25) |
| InChI Key | LZWOEPHIZWZPPV-UHFFFAOYSA-N |
| MDL Number | MFCD30471987 |
| Molecular Formula | C19H16Br2O4 |
| Molecular Weight | 468.1359 |
| SMILES | BrC1=CC2=C(C=C1)C3=C(C=C(Br)C=C3)C2(CCC(O)=O)CCC(O)=O |
| Synonyms | 3,3'-(2,7-dibromo-9H-fluorene-9,9-diyl)dipropanoic acid,
94257-59-7,
SCHEMBL990920,
LZWOEPHIZWZPPV-UHFFFAOYSA-N,
MFCD30471987,
AKOS030628263,
ZINC114982693,
(2,7-dibromo)-9h-fluorene-9,9-dipropionic acid,
N/A,
|
| Complexity | 478 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 467.939g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 468.141g/mol |
| Monoisotopic Mass | 465.942g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number