| CAS Number | 231606-27-2 |
| Catalog Number | AG00IMGR(AGN-PC-0WOMNI) |
| Chemical Name | 1,3-Dibromo-5-dodecylbenzene |
| IUPAC Name | 1,3-dibromo-5-dodecylbenzene |
| InChI | InChI=1S/C18H28Br2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-17(19)15-18(20)14-16/h13-15H,2-12H2,1H3 |
| InChI Key | LBSQLYHNNHYVBN-UHFFFAOYSA-N |
| MDL Number | MFCD30742901 |
| Molecular Formula | C18H28Br2 |
| Molecular Weight | 404.2229 |
| SMILES | CCCCCCCCCCCCC1=CC(Br)=CC(Br)=C1 |
| Synonyms | 1,3-Dibromo-5-dodecylbenzene,
231606-27-2,
1-Dodecyl-3,5-dibromobenzene,
D5274,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 404.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 404.23g/mol |
| Monoisotopic Mass | 402.056g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 9.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number