| CAS Number | 75894-99-4 |
| Catalog Number | AG00IMGP(AGN-PC-0WON3U) |
| Chemical Name | 1,3-Dibromo-5-n-octylbenzene |
| IUPAC Name | 1,3-dibromo-5-octylbenzene |
| InChI | InChI=1S/C14H20Br2/c1-2-3-4-5-6-7-8-12-9-13(15)11-14(16)10-12/h9-11H,2-8H2,1H3 |
| InChI Key | OHOXSSBAVJERNK-UHFFFAOYSA-N |
| MDL Number | MFCD30725751 |
| Molecular Formula | C14H20Br2 |
| Molecular Weight | 348.1166 |
| SMILES | CCCCCCCCC1=CC(=CC(=C1)Br)Br |
| Synonyms | 1,3-Dibromo-5-n-octylbenzene,
75894-99-4,
1,3-Dibromo-5-octylbenzene,
D5257,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.122g/mol |
| Monoisotopic Mass | 345.993g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.4 |
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Certificate of Analysis
Lot Number