| CAS Number | 1820704-04-8 |
| Catalog Number | AG00I0WH |
| Chemical Name | 5-Bromo-3-chloro-2-isopropoxyanisole |
| IUPAC Name | 5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene |
| InChI | InChI=1S/C10H12BrClO2/c1-6(2)14-10-8(12)4-7(11)5-9(10)13-3/h4-6H,1-3H3 |
| InChI Key | PYRHMPMVXYAHEO-UHFFFAOYSA-N |
| MDL Number | MFCD26940387 |
| Molecular Formula | C10H12BrClO2 |
| Molecular Weight | 279.5581 |
| SMILES | COc1cc(Br)cc(c1OC(C)C)Cl |
| Synonyms | 5-Bromo-1-chloro-2-isopropoxy-3-methoxybenzene,
5-Bromo-3-chloro-2-isopropoxyanisole,
1820704-04-8,
ZINC97743316,
AKOS027361107,
Y2809,
C10H12BrClO2,
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| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.558g/mol |
| Monoisotopic Mass | 277.971g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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