2,5-Dichloro-4-(trifluoromethyl)pyrimidine - CAS 785777-98-2
Catalog: |
BB067976 |
Product Name: |
2,5-Dichloro-4-(trifluoromethyl)pyrimidine |
CAS: |
785777-98-2 |
Synonyms: |
2,5-dichloro-4-(trifluoromethyl)pyrimidine; Pyrimidine, 2,5-dichloro-4-(trifluoromethyl)- |
IUPAC Name: | 2,5-dichloro-4-(trifluoromethyl)pyrimidine |
Description: | 2,5-Dichloro-4-(trifluoromethyl)pyrimidine |
Molecular Weight: | 216.98 |
Molecular Formula: | C5HCl2F3N2 |
Canonical SMILES: | C1=C(C(=NC(=N1)Cl)C(F)(F)F)Cl |
InChI: | InChI=1S/C5HCl2F3N2/c6-2-1-11-4(7)12-3(2)5(8,9)10/h1H |
InChI Key: | TXXQDEGSBJJCSM-UHFFFAOYSA-N |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.9468879 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.9468879 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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