| CAS Number | 1335058-63-3 |
| Catalog Number | AG00HSYC(AGN-PC-0WR2R6) |
| Chemical Name | 5-bromo-2-chloro-3-isopropoxypyridine |
| IUPAC Name | 5-bromo-2-chloro-3-propan-2-yloxypyridine |
| InChI | InChI=1S/C8H9BrClNO/c1-5(2)12-7-3-6(9)4-11-8(7)10/h3-5H,1-2H3 |
| InChI Key | QPWDYXIBSFVGIV-UHFFFAOYSA-N |
| MDL Number | MFCD20923588 |
| Molecular Formula | C8H9BrClNO |
| Molecular Weight | 250.5202 |
| SMILES | CC(OC1=C(Cl)N=CC(Br)=C1)C |
| Synonyms | 5-Bromo-2-chloro-3-isopropoxypyridine,
1335058-63-3,
AKOS027358571,
ZINC225816422,
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| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.52g/mol |
| Monoisotopic Mass | 248.956g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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