| CAS Number | 442910-36-3 |
| Catalog Number | AG01A3OY(AGN-PC-0WOBWT) |
| Chemical Name | 2-(Bromomethyl)-6-(propan-2-yl)pyridine |
| IUPAC Name | 2-(bromomethyl)-6-propan-2-ylpyridine |
| InChI | InChI=1S/C9H12BrN/c1-7(2)9-5-3-4-8(6-10)11-9/h3-5,7H,6H2,1-2H3 |
| InChI Key | DNFLPQFSDKFUCX-UHFFFAOYSA-N |
| MDL Number | MFCD18259890 |
| Molecular Formula | C9H12BrN |
| Molecular Weight | 214.1023 |
| SMILES | CC(C1=NC(CBr)=CC=C1)C |
| Synonyms | 2-(Bromomethyl)-6-isopropylpyridine,
442910-36-3,
2-(bromomethyl)-6-(propan-2-yl)pyridine,
SCHEMBL4051420,
ZINC88613676,
AKOS026729908,
NE37351,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.106g/mol |
| Monoisotopic Mass | 213.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number