| CAS Number | 1285022-19-6 |
| Catalog Number | AG00HRTH(AGN-PC-0WP1QJ) |
| Chemical Name | 4-Bromo-2-(4-chlorophenoxymethyl)-1-methoxybenzene |
| IUPAC Name | 4-bromo-2-[(4-chlorophenoxy)methyl]-1-methoxybenzene |
| InChI | InChI=1S/C14H12BrClO2/c1-17-14-7-2-11(15)8-10(14)9-18-13-5-3-12(16)4-6-13/h2-8H,9H2,1H3 |
| InChI Key | LVLBAPWHXOLIEE-UHFFFAOYSA-N |
| MDL Number | MFCD19444754 |
| Molecular Formula | C14H12BrClO2 |
| Molecular Weight | 327.6009 |
| SMILES | COc1ccc(cc1COc1ccc(cc1)Cl)Br |
| Synonyms | 1285022-19-6,
4-BROMO-2-(4-CHLOROPHENOXYMETHYL)-1-METHOXYBENZENE,
4-Bromo-2-((4-chlorophenoxy)methyl)-1-methoxybenzene,
ZINC70245625,
AKOS009039066,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.602g/mol |
| Monoisotopic Mass | 325.971g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
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Certificate of Analysis
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