CAS
179602-65-4 Purity
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179602-65-4 Purity
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Specification
The molecular formula is C5H4ClFN2O.
The PubChem CID is 53439896.
The IUPAC name is 4-chloro-5-fluoro-2-methoxypyrimidine.
The InChI is InChI=1S/C5H4ClFN2O/c1-10-5-8-2-3(7)4(6)9-5/h2H,1H3.
The InChIKey is SGXQCZHNMNMMEG-UHFFFAOYSA-N.
The canonical SMILES is COC1=NC=C(C(=N1)Cl)F.
The molecular weight is 162.55 g/mol.
The XLogP3-AA value is 1.6.
There are 4 hydrogen bond acceptors.
Yes, 4-Chloro-5-fluoro-2-methoxypyrimidine is canonicalized.