| CAS Number | 1951439-43-2 |
| Catalog Number | AG00I35X(AGN-PC-0WQZ8G) |
| Chemical Name | 2-Benzyloxy-3-bromo-5-fluorobenzonitrile |
| IUPAC Name | 3-bromo-5-fluoro-2-phenylmethoxybenzonitrile |
| InChI | InChI=1S/C14H9BrFNO/c15-13-7-12(16)6-11(8-17)14(13)18-9-10-4-2-1-3-5-10/h1-7H,9H2 |
| InChI Key | DNSZFGBOFQUDNP-UHFFFAOYSA-N |
| MDL Number | MFCD30182383 |
| Molecular Formula | C14H9BrFNO |
| Molecular Weight | 306.1298 |
| SMILES | N#Cc1cc(F)cc(c1OCc1ccccc1)Br |
| Synonyms | 2-Benzyloxy-3-bromo-5-fluorobenzonitrile,
1951439-43-2,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.134g/mol |
| Monoisotopic Mass | 304.985g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
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