| CAS Number | 1160575-03-0 |
| Catalog Number | AG01FDBN(AGN-PC-3H49P2) |
| Chemical Name | 1,5-Dibromo-2-chloro-3-isopropylbenzene |
| IUPAC Name | 1,5-dibromo-2-chloro-3-propan-2-ylbenzene |
| InChI | InChI=1S/C9H9Br2Cl/c1-5(2)7-3-6(10)4-8(11)9(7)12/h3-5H,1-2H3 |
| InChI Key | FDBRPIIZQBPSOC-UHFFFAOYSA-N |
| MDL Number | MFCD11845960 |
| Molecular Formula | C9H9Br2Cl |
| Molecular Weight | 312.4288 |
| SMILES | c1(c(c(cc(c1)Br)Br)Cl)C(C)C |
| Synonyms | 2-Chloro-3,5-dibromoisopropylbenzene,
1160575-03-0,
1,5-Dibromo-2-chloro-3-isopropylbenzene,
ZINC65356382,
AKOS027385772,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.874g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.429g/mol |
| Monoisotopic Mass | 309.876g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
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Certificate of Analysis
Lot Number