| CAS Number | 1381944-69-9 |
| Catalog Number | AG00HV8K(AGN-PC-0WNWIW) |
| Chemical Name | 1-(Benzyloxy)-2-bromo-3-methylbenzene |
| IUPAC Name | 2-bromo-1-methyl-3-phenylmethoxybenzene |
| InChI | InChI=1S/C14H13BrO/c1-11-6-5-9-13(14(11)15)16-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3 |
| InChI Key | KMZLFHHLCFEZMT-UHFFFAOYSA-N |
| MDL Number | MFCD22375089 |
| Molecular Formula | C14H13BrO |
| Molecular Weight | 277.1564 |
| SMILES | Brc1c(cccc1C)OCc1ccccc1 |
| Synonyms | 1-(BENZYLOXY)-2-BROMO-3-METHYLBENZENE,
1381944-69-9,
KM4015,
MFCD22375089,
ZINC95495702,
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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