| CAS Number | 1096325-53-9 |
| Catalog Number | AG01A3HE |
| Chemical Name | 2-methyl-6-(6-methyl-1H-1,3-benzodiazol-2-yl)phenol |
| IUPAC Name | 2-methyl-6-(6-methyl-1H-benzimidazol-2-yl)phenol |
| InChI | InChI=1S/C15H14N2O/c1-9-6-7-12-13(8-9)17-15(16-12)11-5-3-4-10(2)14(11)18/h3-8,18H,1-2H3,(H,16,17) |
| InChI Key | KNLZCILYJUKTDG-UHFFFAOYSA-N |
| MDL Number | MFCD12069244 |
| Molecular Formula | C15H14N2O |
| Molecular Weight | 238.2845 |
| SMILES | CC1=CC2=C(N=C(C3=C(O)C(C)=CC=C3)N2)C=C1 |
| Synonyms | 2-methyl-6-(6-methyl-1H-1,3-benzodiazol-2-yl)phenol,
1096325-53-9,
ZINC37289016,
MCULE-8096034149,
NE35291,
2-methyl-6-(5-methyl-1H-1,3-benzodiazol-2-yl)phenol,
Z1695906778,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.29g/mol |
| Monoisotopic Mass | 238.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number