| CAS Number | 1152554-39-6 |
| Catalog Number | AG019SZT(AGN-PC-0WO3DF) |
| Chemical Name | [5-Chloro-2-(cyclopentyloxy)phenyl]methanol |
| IUPAC Name | (5-chloro-2-cyclopentyloxyphenyl)methanol |
| InChI | InChI=1S/C12H15ClO2/c13-10-5-6-12(9(7-10)8-14)15-11-3-1-2-4-11/h5-7,11,14H,1-4,8H2 |
| InChI Key | HWIGLGGTQAMOQD-UHFFFAOYSA-N |
| MDL Number | MFCD11103208 |
| Molecular Formula | C12H15ClO2 |
| Molecular Weight | 226.6993 |
| SMILES | OCC1=C(OC2CCCC2)C=CC(Cl)=C1 |
| Synonyms | [5-chloro-2-(cyclopentyloxy)phenyl]methanol,
1152554-39-6,
SCHEMBL18584829,
ZINC34961906,
AKOS009311244,
MCULE-8911393595,
NE32969,
Z1272096616,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.7g/mol |
| Monoisotopic Mass | 226.076g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number