| CAS Number | 1227588-54-6 |
| Catalog Number | AG00A5M5(AGN-PC-0WOLOJ) |
| Chemical Name | 3-Bromo-5-chloro-2-(chloromethyl)pyridine |
| IUPAC Name | 3-bromo-5-chloro-2-(chloromethyl)pyridine |
| InChI | InChI=1S/C6H4BrCl2N/c7-5-1-4(9)3-10-6(5)2-8/h1,3H,2H2 |
| InChI Key | OQXXOPQFDWXJOG-UHFFFAOYSA-N |
| MDL Number | MFCD16608172 |
| Molecular Formula | C6H4BrCl2N |
| Molecular Weight | 240.9127 |
| SMILES | ClCC1=C(Br)C=C(Cl)C=N1 |
| Synonyms | 3-bromo-5-chloro-2-(chloromethyl)pyridine,
1227588-54-6,
MFCD16608172,
SCHEMBL20188949,
DTXSID00856625,
ZINC91692952,
FCH1344001,
OR17620,
QC-3829,
BL010231,
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| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.89g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.909g/mol |
| Monoisotopic Mass | 238.89g/mol |
| Rotatable Bond Count | 1 |
| 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