| CAS Number | 1196151-61-7 |
| Catalog Number | AG000PAG(AGN-PC-0WCKT7) |
| Chemical Name | 2-(chloromethyl)-5-fluoropyrimidine |
| IUPAC Name | 2-(chloromethyl)-5-fluoropyrimidine |
| InChI | InChI=1S/C5H4ClFN2/c6-1-5-8-2-4(7)3-9-5/h2-3H,1H2 |
| InChI Key | JTZQALAWTLCKRX-UHFFFAOYSA-N |
| MDL Number | MFCD13189598 |
| Molecular Formula | C5H4ClFN2 |
| Molecular Weight | 146.5501 |
| SMILES | ClCC1=NC=C(C=N1)F |
| Synonyms | 2-(Chloromethyl)-5-fluoropyrimidine,
1196151-61-7,
SCHEMBL20548685,
2-Chloromethyl-5-fluoropyrimidine,
ZINC95707195,
FCH1134667,
PB11064,
Pyrimidine, 2-(chloromethyl)-5-fluoro-,
AJ-133669,
AX8210665,
CS-0054732,
Q-3859,
2-Chloromethyl-5-fluoropyrimidine hydrochloride,
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| Complexity | 83 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.549g/mol |
| Monoisotopic Mass | 146.005g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number