| CAS Number | 1600166-21-9 |
| Catalog Number | AG00J2TT(AGN-PC-0WB656) |
| Chemical Name | 4-Bromo-5-fluoro-2-methylphenol |
| IUPAC Name | 4-bromo-5-fluoro-2-methylphenol |
| InChI | InChI=1S/C7H6BrFO/c1-4-2-5(8)6(9)3-7(4)10/h2-3,10H,1H3 |
| InChI Key | SHRYKVVPIPGXCZ-UHFFFAOYSA-N |
| MDL Number | MFCD22414503 |
| Molecular Formula | C7H6BrFO |
| Molecular Weight | 205.0243 |
| SMILES | C1C(O)=C(C)C=C(Br)C=1F |
| Synonyms | 4-bromo-5-fluoro-2-methylphenol,
1600166-21-9,
SCHEMBL9908800,
MFCD22414503,
AKOS027296526,
ZINC135079200,
Z2658867217,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number