| CAS Number | 866022-28-8 |
| Catalog Number | AG008FKH(AGN-PC-0BSC4W) |
| Chemical Name | Bischloroanthrabenzoxocinone |
| IUPAC Name | 19,20-dichloro-16-oxapentacyclo[12.10.0.02,11.04,9.015,22]tetracosa-1(14),2,4,6,8,10,12,15(22),17,19,23-undecaen-21-one |
| InChI | InChI=1S/C23H12Cl2O2/c24-20-9-10-27-23-17-6-5-15-11-13-3-1-2-4-14(13)12-19(15)16(17)7-8-18(23)22(26)21(20)25/h1-12H |
| InChI Key | QDPSZYNJYJMHNC-UHFFFAOYSA-N |
| MDL Number | MFCD09608031 |
| Molecular Formula | C28H24Cl2O7 |
| Molecular Weight | 543.3920 |
| SMILES | CC1=CC(OC)=CC2=C1[C@]([H])(O3)C4=C(O)C5=C(C=C4C[C@@]3(C)O2)C(C)(C)C6=C(Cl)C(O)=C(Cl)C(O)=C6C5=O |
| Synonyms | 866022-28-8,
CTK5F7002,
DTXSID10722781,
2,3-Dichloro-1H-tetrapheno[4,3-b]oxocin-1-one,
BISCHLOROANTHRABENZOXOCINONE,
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| Complexity | 669 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 390.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 391.247g/mol |
| Monoisotopic Mass | 390.021g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
| XLogP3 | 7.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number