| CAS Number | 1820618-45-8 |
| Catalog Number | AG00I0K3(AGN-PC-0WQZW2) |
| Chemical Name | 1-(Benzyloxy)-3-bromo-2-chlorobenzene |
| IUPAC Name | 1-bromo-2-chloro-3-phenylmethoxybenzene |
| InChI | InChI=1S/C13H10BrClO/c14-11-7-4-8-12(13(11)15)16-9-10-5-2-1-3-6-10/h1-8H,9H2 |
| InChI Key | QFXWYPCEXULROC-UHFFFAOYSA-N |
| MDL Number | MFCD28122689 |
| Molecular Formula | C13H10BrClO |
| Molecular Weight | 297.5749 |
| SMILES | Clc1c(cccc1Br)OCc1ccccc1 |
| Synonyms | 1-(BENZYLOXY)-3-BROMO-2-CHLOROBENZENE,
1820618-45-8,
ZINC216703707,
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| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.576g/mol |
| Monoisotopic Mass | 295.96g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^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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