| CAS Number | 211506-14-8 |
| Catalog Number | AG01C2NZ |
| Chemical Name | 2-Fluoro-2-phenylpropane-1,3-diol |
| IUPAC Name | 2-fluoro-2-phenylpropane-1,3-diol |
| InChI | InChI=1S/C9H11FO2/c10-9(6-11,7-12)8-4-2-1-3-5-8/h1-5,11-12H,6-7H2 |
| InChI Key | KOKNKAUSVOQSOM-UHFFFAOYSA-N |
| MDL Number | MFCD28363327 |
| Molecular Formula | C9H11FO2 |
| Molecular Weight | 170.1808 |
| SMILES | OCC(C1=CC=CC=C1)(CO)F |
| Synonyms | 2-fluoro-2-phenylpropane-1,3-diol,
2-Fluoro-2-phenyl-1,3-propanediol,
211506-14-8,
SCHEMBL5012067,
KOKNKAUSVOQSOM-UHFFFAOYSA-N,
2-Phenyl-2-fluoro-1,3-propanediol,
ZINC136919366,
2-fluoro-2-phenyl-propane-1,3-diol,
CID11952523,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.183g/mol |
| Monoisotopic Mass | 170.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number