| CAS Number | 1026088-11-8 |
| Catalog Number | AG01BBM4 |
| Chemical Name | (1S)-1-(4-Bromo-2-fluorophenyl)ethan-1-ol |
| IUPAC Name | 1-(4-bromo-2-fluorophenyl)ethanol |
| InChI | InChI=1S/C8H8BrFO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5,11H,1H3 |
| InChI Key | MASZUNQDCHMJEP-UHFFFAOYSA-N |
| MDL Number | MFCD22570034 |
| Molecular Formula | C8H8BrFO |
| Molecular Weight | 219.0509 |
| SMILES | BrC1=CC(=C(C=C1)[C@H](C)O)F |
| Synonyms | 1-(4-bromo-2-fluorophenyl)ethan-1-ol,
353282-88-9,
1-(4-bromo-2-fluorophenyl)ethanol,
(1R)-1-(4-bromo-2-fluorophenyl)ethan-1-ol,
(1S)-1-(4-bromo-2-fluorophenyl)ethan-1-ol,
1026088-11-8,
749932-80-7,
SCHEMBL10719,
MASZUNQDCHMJEP-UHFFFAOYSA-N,
AKOS013209990,
1-(4-Bromo-2-fluoro-phenyl)-ethanol,
MCULE-1837245829,
NE33312,
Benzenemethanol, 4-bromo-2-fluoro-alpha-methyl-,
Z1438447195,
|
| Complexity | 131 |
| 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 | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number