| CAS Number | 865163-47-9 |
| Catalog Number | AG00IMGV(AGN-PC-0OKFOP) |
| Chemical Name | 9H-Carbazole, 3,6-dibromo-9-[4-(dodecyloxy)phenyl]- |
| IUPAC Name | 3,6-dibromo-9-(4-dodecoxyphenyl)carbazole |
| InChI | InChI=1S/C30H35Br2NO/c1-2-3-4-5-6-7-8-9-10-11-20-34-26-16-14-25(15-17-26)33-29-18-12-23(31)21-27(29)28-22-24(32)13-19-30(28)33/h12-19,21-22H,2-11,20H2,1H3 |
| InChI Key | VWCTWVHXOOAKSE-UHFFFAOYSA-N |
| MDL Number | MFCD30536722 |
| Molecular Formula | C30H35Br2NO |
| Molecular Weight | 585.4130 |
| SMILES | CCCCCCCCCCCCOC1=CC=C(N2C3=C(C4=C2C=CC(Br)=C4)C=C(Br)C=C3)C=C1 |
| Synonyms | 3,6-Dibromo-9-(4-dodecyloxyphenyl)-9H-carbazole,
865163-47-9,
3,6-dibromo-9-[4-(dodecyloxy)phenyl]-9H-Carbazole,
D5343,
9H-Carbazole, 3,6-dibromo-9-[4-(dodecyloxy)phenyl]-,
|
| Complexity | 540 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 585.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 585.424g/mol |
| Monoisotopic Mass | 583.109g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 14.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 11.9 |
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Certificate of Analysis
Lot Number