| CAS Number | 1372147-57-3 |
| Catalog Number | AG01DFWI |
| Chemical Name | 4-{[5-(benzyloxy)-2-bromophenoxy]methyl}pyridine |
| IUPAC Name | 4-[(2-bromo-5-phenylmethoxyphenoxy)methyl]pyridine |
| InChI | InChI=1S/C19H16BrNO2/c20-18-7-6-17(22-13-15-4-2-1-3-5-15)12-19(18)23-14-16-8-10-21-11-9-16/h1-12H,13-14H2 |
| InChI Key | LZRBQDMZEFXAAV-UHFFFAOYSA-N |
| MDL Number | MFCD30471828 |
| Molecular Formula | C19H16BrNO2 |
| Molecular Weight | 370.2398 |
| SMILES | Brc1ccc(OCc2ccccc2)cc1OCc1ccncc1 |
| Synonyms | 4-((5-(Benzyloxy)-2-bromophenoxy)methyl)pyridine,
1372147-57-3,
MFCD30471828,
ZINC498050538,
CS-0039590,
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| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 369.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 370.246g/mol |
| Monoisotopic Mass | 369.036g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 31.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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Certificate of Analysis
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