| CAS Number | 86347-12-8 |
| Catalog Number | AG00H2NH(AGN-PC-0WAIS0) |
| Chemical Name | 1-(2,3-Dimethylphenyl)-1-(1H-imidazol-4-yl)ethanol |
| IUPAC Name | 1-(2,3-dimethylphenyl)-1-(1H-imidazol-5-yl)ethanol |
| InChI | InChI=1S/C13H16N2O/c1-9-5-4-6-11(10(9)2)13(3,16)12-7-14-8-15-12/h4-8,16H,1-3H3,(H,14,15) |
| InChI Key | LBUFLYABQRDXQB-UHFFFAOYSA-N |
| MDL Number | MFCD27920785 |
| Molecular Formula | C13H16N2O |
| Molecular Weight | 216.2789 |
| SMILES | CC(C1=CC=CC(C)=C1C)(O)C2=CNC=N2 |
| Synonyms | 86347-12-8,
1-(2,3-Dimethylphenyl)-1-(1H-imidazol-4-yl)ethanol,
1-(2,3-dimethylphenyl)-1-(1H-imidazol-5-yl)ethanol,
SCHEMBL20152370,
MFCD27920785,
AX8282693,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.284g/mol |
| Monoisotopic Mass | 216.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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