2-Chloro-4-(trifluoromethoxy)pyrimidine - CAS 1261884-70-1
Catalog: |
BB069509 |
Product Name: |
2-Chloro-4-(trifluoromethoxy)pyrimidine |
CAS: |
1261884-70-1 |
Synonyms: |
2-Chloro-4-(trifluoromethoxy)pyrimidine; Pyrimidine, 2-chloro-4-(trifluoromethoxy)- |
IUPAC Name: | 2-chloro-4-(trifluoromethoxy)pyrimidine |
Description: | Analytical Standard, Intermediate (Reactant/Reagent), etc. |
Molecular Weight: | 198.53 |
Molecular Formula: | C5H2ClF3N2O |
Canonical SMILES: | C1=CN=C(N=C1OC(F)(F)F)Cl |
InChI: | InChI=1S/C5H2ClF3N2O/c6-4-10-2-1-3(11-4)12-5(7,8)9/h1-2H |
InChI Key: | JYXSDTLXZFNLSS-UHFFFAOYSA-N |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.9807749 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.9807749 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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