| CAS Number | 174913-47-4 |
| Catalog Number | AG01FFEZ(AGN-PC-3H4A5B) |
| Chemical Name | 4-Chloro-3,5-dibromoanisole |
| IUPAC Name | 1,3-dibromo-2-chloro-5-methoxybenzene |
| InChI | InChI=1S/C7H5Br2ClO/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3 |
| InChI Key | ZSOCQOCQLMDAJL-UHFFFAOYSA-N |
| MDL Number | MFCD11845904 |
| Molecular Formula | C7H5Br2ClO |
| Molecular Weight | 300.3750 |
| SMILES | c1(cc(c(c(c1)Br)Cl)Br)OC |
| Synonyms | 4-Chloro-3,5-dibromoanisole,
174913-47-4,
1,3-dibromo-2-chloro-5-methoxybenzene,
ZINC36532739,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.838g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.374g/mol |
| Monoisotopic Mass | 297.84g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number