| CAS Number | 1807088-23-8 |
| Catalog Number | AG00I064(AGN-PC-0WP1S3) |
| Chemical Name | 3-Bromo-2-fluoro-6-methylphenol |
| IUPAC Name | 3-bromo-2-fluoro-6-methylphenol |
| InChI | InChI=1S/C7H6BrFO/c1-4-2-3-5(8)6(9)7(4)10/h2-3,10H,1H3 |
| InChI Key | KISHPRSWTLOCBV-UHFFFAOYSA-N |
| MDL Number | MFCD28739775 |
| Molecular Formula | C7H6BrFO |
| Molecular Weight | 205.0243 |
| SMILES | Cc1ccc(c(c1O)F)Br |
| Synonyms | 3-bromo-2-fluoro-6-methylphenol,
1807088-23-8,
SCHEMBL5747054,
AKOS026673583,
ZINC147312522,
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.026g/mol |
| Monoisotopic Mass | 203.959g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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