| CAS Number | 126534-37-0 |
| Catalog Number | AG019WSV |
| Chemical Name | (1R)-1-(2,5-Difluorophenyl)Ethan-1-Ol |
| IUPAC Name | (1R)-1-(2,5-difluorophenyl)ethanol |
| InChI | InChI=1S/C8H8F2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5,11H,1H3/t5-/m1/s1 |
| InChI Key | RCPAVJXGLFKACE-RXMQYKEDSA-N |
| MDL Number | MFCD09863778 |
| Molecular Formula | C8H8F2O |
| Molecular Weight | 158.1453 |
| SMILES | C[C@H](C1=C(C=CC(=C1)F)F)O |
| Synonyms | (1R)-1-(2,5-difluorophenyl)ethan-1-ol,
126534-37-0,
AC1Q29BI,
SCHEMBL15854160,
CTK7B8436,
RCPAVJXGLFKACE-RXMQYKEDSA-N,
8345AH,
ZINC12506480,
(R)-1-(2,5-difluorophenyl)ethanol,
NE25422,
(1R)-1-(2,5-DIFLUOROPHENYL)ETHANOL,
(R)-2,5-difluoro-alpha-methylbenzenemethanol,
EN300-53061,
J-502171,
C8H8F2O,
(1R)-1-(2,5-Difluoro-phenyl)-ethanol,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.148g/mol |
| Monoisotopic Mass | 158.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number