4-Iodo-3-methyl-1-propyl-1H-pyrazole - CAS 1354704-24-7
Catalog: |
BB052054 |
Product Name: |
4-Iodo-3-methyl-1-propyl-1H-pyrazole |
CAS: |
1354704-24-7 |
Synonyms: |
4-Iodo-3-methyl-1-propyl-1H-pyrazole |
IUPAC Name: | 4-iodo-3-methyl-1-propylpyrazole |
Molecular Weight: | 250.08 |
Molecular Formula: | C7H11IN2 |
Canonical SMILES: | CCCN1C=C(C(=N1)C)I |
InChI: | InChI=1S/C7H11IN2/c1-3-4-10-5-7(8)6(2)9-10/h5H,3-4H2,1-2H3 |
InChI Key: | GRLRSOADANACRR-UHFFFAOYSA-N |
Complexity: | 108 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.9967 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.9967 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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