5-Bromo-2-methyl-4-(trifluoromethyl)pyrimidine - CAS 1781830-29-2
Catalog: |
BB054576 |
Product Name: |
5-Bromo-2-methyl-4-(trifluoromethyl)pyrimidine |
CAS: |
1781830-29-2 |
Synonyms: |
5-Bromo-2-methyl-4-trifluoromethyl-pyrimidine |
IUPAC Name: | 5-bromo-2-methyl-4-(trifluoromethyl)pyrimidine |
Molecular Weight: | 241.01 |
Molecular Formula: | C6H4BrF3N2 |
Canonical SMILES: | CC1=NC=C(C(=N1)C(F)(F)F)Br |
InChI: | InChI=1S/C6H4BrF3N2/c1-3-11-2-4(7)5(12-3)6(8,9)10/h2H,1H3 |
InChI Key: | QBQQCGIZPGZWPB-UHFFFAOYSA-N |
Boiling Point: | 202.8±35.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 1.699±0.06 g/cm3 |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.951 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.951 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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