| CAS Number | 1881321-36-3 |
| Catalog Number | AG00I2DN(AGN-PC-0WR851) |
| Chemical Name | 3-chloro-5-methyl-2-(2-methylpropoxy)pyridine |
| IUPAC Name | 3-chloro-5-methyl-2-(2-methylpropoxy)pyridine |
| InChI | InChI=1S/C10H14ClNO/c1-7(2)6-13-10-9(11)4-8(3)5-12-10/h4-5,7H,6H2,1-3H3 |
| InChI Key | MCYVJCXSQTXBJO-UHFFFAOYSA-N |
| MDL Number | MFCD29044079 |
| Molecular Formula | C10H14ClNO |
| Molecular Weight | 199.6773 |
| SMILES | CC(COc1ncc(cc1Cl)C)C |
| Synonyms | 3-CHLORO-5-METHYL-2-(2-METHYLPROPOXY)PYRIDINE,
1881321-36-3,
SCHEMBL15599286,
ZINC220574366,
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| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.678g/mol |
| Monoisotopic Mass | 199.076g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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