3-iodo-1-(3-methylbutyl)-1H-pyrazole - CAS 1501135-34-7
Catalog: |
BB052458 |
Product Name: |
3-iodo-1-(3-methylbutyl)-1H-pyrazole |
CAS: |
1501135-34-7 |
Synonyms: |
3-iodo-1-(3-methylbutyl)-1H-pyrazole |
IUPAC Name: | 3-iodo-1-(3-methylbutyl)pyrazole |
Molecular Weight: | 264.11 |
Molecular Formula: | C8H13IN2 |
Canonical SMILES: | CC(C)CCN1C=CC(=N1)I |
InChI: | InChI=1S/C8H13IN2/c1-7(2)3-5-11-6-4-8(9)10-11/h4,6-7H,3,5H2,1-2H3 |
InChI Key: | QJZREORTSKOOB-UHFFFAOYSA-N |
Complexity: | 117 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.01235 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.01235 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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