| CAS Number | 946491-48-1 |
| Catalog Number | AG00IMGU(AGN-PC-0WQUMK) |
| Chemical Name | 3,6-Dibromo-9-[4-(2-ethylhexyloxy)phenyl]-9H-carbazole |
| IUPAC Name | 3,6-dibromo-9-[4-(2-ethylhexoxy)phenyl]carbazole |
| InChI | InChI=1S/C26H27Br2NO/c1-3-5-6-18(4-2)17-30-22-11-9-21(10-12-22)29-25-13-7-19(27)15-23(25)24-16-20(28)8-14-26(24)29/h7-16,18H,3-6,17H2,1-2H3 |
| InChI Key | ACUVALSRGHGNLZ-UHFFFAOYSA-N |
| MDL Number | MFCD30721573 |
| Molecular Formula | C26H27Br2NO |
| Molecular Weight | 529.3067 |
| SMILES | BrC=1C=CC=2N(C3=CC=C(C=C3C2C1)Br)C1=CC=C(C=C1)OCC(CCCC)CC |
| Synonyms | 3,6-Dibromo-9-[4-(2-ethylhexyloxy)phenyl]-9H-carbazole,
946491-48-1,
3,6-dibromo-9-{4-[(2-ethylhexyl)oxy]phenyl}-9H-carbazole,
SCHEMBL10316784,
D5342,
|
| Complexity | 497 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 529.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 529.316g/mol |
| Monoisotopic Mass | 527.046g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 14.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 9.5 |
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Certificate of Analysis
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