Catalog | OFC37552811 |
CAS | 37552-81-1 |
Category | Fluorinated Heterocyclic Series Products; Fluorinated Pyrimidines |
Synonyms | Pyrimidine, 4-chloro-6-(trifluoromethyl)- |
Purity | 98% Min. |
MDL Number | MFCD04972771 |
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IUPAC Name | 4-chloro-6-(trifluoromethyl)pyrimidine |
InChI | InChI=1S/C5H2ClF3N2/c6-4-1-3(5(7,8)9)10-2-11-4/h1-2H |
InChI Key | TYSPDLZOMUDHQZ-UHFFFAOYSA-N |
Isomeric SMILES | C1=C(N=CN=C1Cl)C(F)(F)F |
Molecular Formula | C5H2ClF3N2 |
Molecular Weight | 182.53 |
Storage | Inert atmosphere, 2-8°C |
XLogP3-AA | 2.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 0 |
Exact Mass | 181.9858603 g/mol |
Monoisotopic Mass | 181.9858603 g/mol |
Topological Polar Surface Area | 25.8Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 138 |
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