| CAS Number | 1141017-77-7 |
| Catalog Number | AG00IMEL(AGN-PC-0WQUL5) |
| Chemical Name | 3-Bromo-9-(3,5-dimethylphenyl)-9H-carbazole |
| IUPAC Name | 3-bromo-9-(3,5-dimethylphenyl)carbazole |
| InChI | InChI=1S/C20H16BrN/c1-13-9-14(2)11-16(10-13)22-19-6-4-3-5-17(19)18-12-15(21)7-8-20(18)22/h3-12H,1-2H3 |
| InChI Key | RSNROIVDIAMOTI-UHFFFAOYSA-N |
| MDL Number | MFCD31618115 |
| Molecular Formula | C20H16BrN |
| Molecular Weight | 350.2517 |
| SMILES | CC1=CC(C)=CC(N2C3=C(C4=C2C=CC=C4)C=C(Br)C=C3)=C1 |
| Synonyms | 3-Bromo-9-(3,5-dimethylphenyl)-9H-carbazole,
1141017-77-7,
B5621,
|
| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 350.259g/mol |
| Monoisotopic Mass | 349.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 4.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.4 |
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Certificate of Analysis
Lot Number