| CAS Number | 1227585-36-5 |
| Catalog Number | AG00AA06 |
| Chemical Name | 5-Chloro-2-(chloromethyl)-3-fluoropyridine |
| IUPAC Name | 5-chloro-2-(chloromethyl)-3-fluoropyridine |
| InChI | InChI=1S/C6H4Cl2FN/c7-2-6-5(9)1-4(8)3-10-6/h1,3H,2H2 |
| InChI Key | BUFISNWLULQMCP-UHFFFAOYSA-N |
| MDL Number | MFCD16608217 |
| Molecular Formula | C6H4Cl2FN |
| Molecular Weight | 180.0071 |
| SMILES | FC1=CC(Cl)=CN=C1CCl |
| Synonyms | 5-CHLORO-2-(CHLOROMETHYL)-3-FLUOROPYRIDINE,
1227585-36-5,
MFCD16608217,
SCHEMBL10235257,
DTXSID50737874,
ZINC91692945,
AKOS030524891,
AB70997,
FCH1180455,
AS-45785,
BL010224,
AB0087226,
X-1153,
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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 | 178.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.003g/mol |
| Monoisotopic Mass | 178.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number