| CAS Number | 157761-91-6 |
| Catalog Number | AG00IMGQ(AGN-PC-0WQUMG) |
| Chemical Name | 1,3-Dibromo-5-tetradecylbenzene |
| IUPAC Name | 1,3-dibromo-5-tetradecylbenzene |
| InChI | InChI=1S/C20H32Br2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-19(21)17-20(22)16-18/h15-17H,2-14H2,1H3 |
| InChI Key | DEEYQDRVVZEMDY-UHFFFAOYSA-N |
| MDL Number | MFCD30742900 |
| Molecular Formula | C20H32Br2 |
| Molecular Weight | 432.2761 |
| SMILES | BrC1=CC(Br)=CC(CCCCCCCCCCCCCC)=C1 |
| Synonyms | 1,3-Dibromo-5-tetradecylbenzene,
157761-91-6,
D5258,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 432.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 432.284g/mol |
| Monoisotopic Mass | 430.087g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 10.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number