| CAS Number | 909032-71-9 |
| Catalog Number | AG00IGBW(AGN-PC-0WR4D0) |
| Chemical Name | 2-Benzyloxy-6-bromotoluene |
| IUPAC Name | 1-bromo-2-methyl-3-phenylmethoxybenzene |
| InChI | InChI=1S/C14H13BrO/c1-11-13(15)8-5-9-14(11)16-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3 |
| InChI Key | FOACXRVHVRUBGL-UHFFFAOYSA-N |
| MDL Number | MFCD30296477 |
| Molecular Formula | C14H13BrO |
| Molecular Weight | 277.1564 |
| SMILES | Cc1c(cccc1Br)OCc1ccccc1 |
| Synonyms | 2-Benzyloxy-6-bromotoluene,
909032-71-9,
SCHEMBL19086324,
1-(Benzyloxy)-2-methyl-3-bromobenzene,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.161g/mol |
| Monoisotopic Mass | 276.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
Lot Number