| CAS Number | 193290-20-9 |
| Catalog Number | AG00AN40(AGN-PC-09WRF6) |
| Chemical Name | 2-(4-Bromo-2-fluorophenyl)ethanol |
| IUPAC Name | 2-(4-bromo-2-fluorophenyl)ethanol |
| InChI | InChI=1S/C8H8BrFO/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5,11H,3-4H2 |
| InChI Key | ATAZLKFXFGKSGH-UHFFFAOYSA-N |
| MDL Number | MFCD19622817 |
| Molecular Formula | C8H8BrFO |
| Molecular Weight | 219.0509 |
| SMILES | BrC1=CC(=C(C=C1)CCO)F |
| Synonyms | 2-(4-bromo-2-fluorophenyl)ethanol,
193290-20-9,
2-(4-bromo-2-fluoro-phenyl)-ethanol,
SCHEMBL5826,
ATAZLKFXFGKSGH-UHFFFAOYSA-N,
Benzeneethanol,4-bromo-2-fluoro-,
ZINC78434608,
AKOS013284010,
DA-43384,
FT-0737004,
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| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.053g/mol |
| Monoisotopic Mass | 217.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^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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