| CAS Number | 1881328-16-0 |
| Catalog Number | AG00I2GT(AGN-PC-0WR80I) |
| Chemical Name | 1-(benzyloxy)-3-bromo-2,4-difluorobenzene |
| IUPAC Name | 2-bromo-1,3-difluoro-4-phenylmethoxybenzene |
| InChI | InChI=1S/C13H9BrF2O/c14-12-10(15)6-7-11(13(12)16)17-8-9-4-2-1-3-5-9/h1-7H,8H2 |
| InChI Key | BBFNVRFFUMGLAM-UHFFFAOYSA-N |
| MDL Number | MFCD29043943 |
| Molecular Formula | C13H9BrF2O |
| Molecular Weight | 299.1108 |
| SMILES | Fc1ccc(c(c1Br)F)OCc1ccccc1 |
| Synonyms | 1-(BENZYLOXY)-3-BROMO-2,4-DIFLUOROBENZENE,
1881328-16-0,
ZINC261493437,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.115g/mol |
| Monoisotopic Mass | 297.98g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
Lot Number