| CAS Number | 1154338-83-6 |
| Catalog Number | AG01BH1N(AGN-PC-0WOQNL) |
| Chemical Name | [5-Chloro-2-(cyclopropylmethoxy)phenyl]methanol |
| IUPAC Name | [5-chloro-2-(cyclopropylmethoxy)phenyl]methanol |
| InChI | InChI=1S/C11H13ClO2/c12-10-3-4-11(9(5-10)6-13)14-7-8-1-2-8/h3-5,8,13H,1-2,6-7H2 |
| InChI Key | LTHOOMVEJZUBNB-UHFFFAOYSA-N |
| MDL Number | MFCD12138901 |
| Molecular Formula | C11H13ClO2 |
| Molecular Weight | 212.6727 |
| SMILES | OCC1=C(OCC2CC2)C=CC(Cl)=C1 |
| Synonyms | [5-chloro-2-(cyclopropylmethoxy)phenyl]methanol,
1154338-83-6,
ZINC36765464,
AKOS009591178,
Z1973465552,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.673g/mol |
| Monoisotopic Mass | 212.06g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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