| CAS Number | 1779753-99-9 |
| Catalog Number | AG00HZRF(AGN-PC-0WR8H5) |
| Chemical Name | 4-Bromo-2-fluoro-3-methoxyphenol |
| IUPAC Name | 4-bromo-2-fluoro-3-methoxyphenol |
| InChI | InChI=1S/C7H6BrFO2/c1-11-7-4(8)2-3-5(10)6(7)9/h2-3,10H,1H3 |
| InChI Key | QUMHKGGYZYTGDX-UHFFFAOYSA-N |
| MDL Number | MFCD28738850 |
| Molecular Formula | C7H6BrFO2 |
| Molecular Weight | 221.0237 |
| SMILES | COc1c(Br)ccc(c1F)O |
| Synonyms | 4-BROMO-2-FLUORO-3-METHOXYPHENOL,
1779753-99-9,
6-Bromo-2-fluoro-3-hydroxyanisole,
ZINC216134243,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.025g/mol |
| Monoisotopic Mass | 219.954g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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