| CAS Number | 1288992-15-3 |
| Catalog Number | AG00HRV0(AGN-PC-0WP1QK) |
| Chemical Name | 5-Bromo-2-isobutoxy-3-methylpyridine |
| IUPAC Name | 5-bromo-3-methyl-2-(2-methylpropoxy)pyridine |
| InChI | InChI=1S/C10H14BrNO/c1-7(2)6-13-10-8(3)4-9(11)5-12-10/h4-5,7H,6H2,1-3H3 |
| InChI Key | FLMLLYZDSFLJIV-UHFFFAOYSA-N |
| MDL Number | MFCD19105393 |
| Molecular Formula | C10H14BrNO |
| Molecular Weight | 244.1283 |
| SMILES | c1(cnc(c(c1)C)OCC(C)C)Br |
| Synonyms | 5-Bromo-2-isobutoxy-3-methylpyridine,
1288992-15-3,
MFCD19105393,
ZINC90413092,
5-bromo-3-methyl-2-(2-methylpropoxy)pyridine,
Q-7181,
C10H14BrNO,
Z0016,
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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 | 243.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.132g/mol |
| Monoisotopic Mass | 243.026g/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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