| CAS Number | 524713-66-4 |
| Catalog Number | AG00DFHU(AGN-PC-00KBYB) |
| Chemical Name | 2-(4-TERT-BUTYLPHENYL)PYRIDINE |
| IUPAC Name | 2-(4-tert-butylphenyl)pyridine |
| InChI | InChI=1S/C15H17N/c1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14/h4-11H,1-3H3 |
| InChI Key | RHXQSMVSBYAGQV-UHFFFAOYSA-N |
| MDL Number | MFCD07775634 |
| Molecular Formula | C15H17N |
| Molecular Weight | 211.3022 |
| SMILES | CC(C1=CC=C(C2=NC=CC=C2)C=C1)(C)C |
| Synonyms | 2-(4-tert-butylphenyl)pyridine,
524713-66-4,
CHEMBL472456,
2-(4-(tert-Butyl)phenyl)pyridine,
SCHEMBL38654,
2-(4-t-butylphenyl)pyridine,
CTK1E4466,
DTXSID90514383,
RHXQSMVSBYAGQV-UHFFFAOYSA-N,
KS-000013XW,
BDBM50276254,
ZINC39365267,
B4092,
Pyridine, 2-[4-(1,1-dimethylethyl)phenyl]-,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.308g/mol |
| Monoisotopic Mass | 211.136g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number