| CAS Number | 1381944-76-8 |
| Catalog Number | AG00187K(AGN-PC-0WRA8C) |
| Chemical Name | 5-(4-Tert-butylphenyl)-2-methoxypyridine |
| IUPAC Name | 5-(4-tert-butylphenyl)-2-methoxypyridine |
| InChI | InChI=1S/C16H19NO/c1-16(2,3)14-8-5-12(6-9-14)13-7-10-15(18-4)17-11-13/h5-11H,1-4H3 |
| InChI Key | AUTYTLXYROVAAN-UHFFFAOYSA-N |
| MDL Number | MFCD22375064 |
| Molecular Formula | C16H19NO |
| Molecular Weight | 241.3282 |
| SMILES | COc1ccc(cn1)c1ccc(cc1)C(C)(C)C |
| Synonyms | 5-(4-tert-butylphenyl)-2-methoxypyridine,
1381944-76-8,
5-(4-(tert-Butyl)phenyl)-2-methoxypyridine,
ACMC-209cgt,
SCHEMBL1622275,
CTK8B0743,
DTXSID70736420,
ANW-20427,
MFCD22375064,
ZINC85477329,
CJ-22471,
TC-109172,
V2848,
B-9763,
Pyridine, 5-[4-(1,1-dimethylethyl)phenyl]-2-methoxy-,
C16H19NO,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.334g/mol |
| Monoisotopic Mass | 241.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number