| CAS Number | 264263-98-1 |
| Catalog Number | AG002T5Z(AGN-PC-0JD1YF) |
| Chemical Name | 10H-Phenothiazine, 3,7-dibromo-10-(2-ethylhexyl)- |
| IUPAC Name | 3,7-dibromo-10-(2-ethylhexyl)phenothiazine |
| InChI | InChI=1S/C20H23Br2NS/c1-3-5-6-14(4-2)13-23-17-9-7-15(21)11-19(17)24-20-12-16(22)8-10-18(20)23/h7-12,14H,3-6,13H2,1-2H3 |
| InChI Key | BKMNQLRBGNJKPI-UHFFFAOYSA-N |
| MDL Number | MFCD32206304 |
| Molecular Formula | C20H23Br2NS |
| Molecular Weight | 469.2763 |
| SMILES | BrC=1C=CC=2N(C3=CC=C(C=C3SC2C1)Br)CC(CCCC)CC |
| Synonyms | 264263-98-1,
10H-Phenothiazine, 3,7-dibromo-10-(2-ethylhexyl)-,
3,7-DIBROMO-10-(2-ETHYLHEXYL)-10H-PHENOTHIAZINE,
CTK0I6148,
DTXSID70780524,
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| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 468.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 469.279g/mol |
| Monoisotopic Mass | 466.992g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 28.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8.3 |
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Certificate of Analysis
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