| CAS Number | 1394783-32-4 |
| Catalog Number | AG00A0PQ |
| Chemical Name | 1-(4-Bromo-3-fluorophenyl)ethan-1-ol |
| IUPAC Name | 1-(4-bromo-3-fluorophenyl)ethanol |
| InChI | InChI=1S/C8H8BrFO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5,11H,1H3 |
| InChI Key | JFJHYEIFGRXLFR-UHFFFAOYSA-N |
| MDL Number | MFCD22392132 |
| Molecular Formula | C8H8BrFO |
| Molecular Weight | 219.0509 |
| SMILES | BrC1=C(C=C(C=C1)C(C)O)F |
| Synonyms | 1-(4-bromo-3-fluorophenyl)ethan-1-ol,
1394783-32-4,
SCHEMBL14966853,
JFJHYEIFGRXLFR-UHFFFAOYSA-N,
1-(4-bromo-3-fluorophenyl)ethanol,
AKOS019665888,
1-(4-Bromo-3-fluoro-phenyl)-ethanol,
MCULE-6551821061,
NE49068,
Z1442184399,
|
| 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