| CAS Number | 1000578-25-5 |
| Catalog Number | AG01FCHX(AGN-PC-3H49MB) |
| Chemical Name | 4-Chloro-3,5-dibromo-tert-butylbenzene |
| IUPAC Name | 1,3-dibromo-5-tert-butyl-2-chlorobenzene |
| InChI | InChI=1S/C10H11Br2Cl/c1-10(2,3)6-4-7(11)9(13)8(12)5-6/h4-5H,1-3H3 |
| InChI Key | WMMPUKCLMBOGTC-UHFFFAOYSA-N |
| MDL Number | MFCD09878148 |
| Molecular Formula | C10H11Br2Cl |
| Molecular Weight | 326.4553 |
| SMILES | C(C)(C)(C)c1cc(Br)c(c(c1)Br)Cl |
| Synonyms | 4-Chloro-3,5-dibromo-tert-butylbenzene,
1000578-25-5,
1,3-Dibromo-5-(tert-butyl)-2-chlorobenzene,
ZINC63339627,
FS-5721,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.89g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.456g/mol |
| Monoisotopic Mass | 323.892g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
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Certificate of Analysis
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