2-Iodo-5-methylpyrazolo[1,5-a]pyrimidine - CAS 2171314-03-5
Catalog: |
BB051398 |
Product Name: |
2-Iodo-5-methylpyrazolo[1,5-a]pyrimidine |
CAS: |
2171314-03-5 |
Synonyms: |
Pyrazolo[1,5-a]pyrimidine, 2-iodo-5-methyl- |
IUPAC Name: | 2-iodo-5-methylpyrazolo[1,5-a]pyrimidine |
Molecular Weight: | 259.05 |
Molecular Formula: | C7H6IN3 |
Canonical SMILES: | CC1=NC2=CC(=NN2C=C1)I |
InChI: | InChI=1S/C7H6IN3/c1-5-2-3-11-7(9-5)4-6(8)10-11/h2-4H,1H3 |
InChI Key: | JABBZIDTSRKZEA-UHFFFAOYSA-N |
Purity: | ≥95% |
Density: | 2.07±0.1 g/cm3 (Predicted) |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.96064 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.96064 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 30.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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