| CAS Number | 1881320-77-9 |
| Catalog Number | AG00I2CA(AGN-PC-0WR82F) |
| Chemical Name | 5-(benzyloxy)-1-bromo-2-fluoro-3-(trifluoromethyl)benzene |
| IUPAC Name | 1-bromo-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene |
| InChI | InChI=1S/C14H9BrF4O/c15-12-7-10(6-11(13(12)16)14(17,18)19)20-8-9-4-2-1-3-5-9/h1-7H,8H2 |
| InChI Key | XULLROLWKBKRDF-UHFFFAOYSA-N |
| MDL Number | MFCD29043991 |
| Molecular Formula | C14H9BrF4O |
| Molecular Weight | 349.1183 |
| SMILES | Brc1cc(OCc2ccccc2)cc(c1F)C(F)(F)F |
| Synonyms | 5-(BENZYLOXY)-1-BROMO-2-FLUORO-3-(TRIFLUOROMETHYL)BENZENE,
1881320-77-9,
ZINC261494447,
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| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.123g/mol |
| Monoisotopic Mass | 347.977g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
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Certificate of Analysis
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