3-Iodo-1-isopropyl-1H-pyrazole - CAS 1266115-22-3
Catalog: |
BB006612 |
Product Name: |
3-Iodo-1-isopropyl-1H-pyrazole |
CAS: |
1266115-22-3 |
Synonyms: |
3-iodo-1-propan-2-ylpyrazole; 3-iodo-1-propan-2-ylpyrazole |
IUPAC Name: | 3-iodo-1-propan-2-ylpyrazole |
Description: | 3-Iodo-1-isopropyl-1H-pyrazole (CAS# 1266115-22-3) is a useful research chemical. |
Molecular Weight: | 236.05 |
Molecular Formula: | C6H9IN2 |
Canonical SMILES: | CC(C)N1C=CC(=N1)I |
InChI: | InChI=1S/C6H9IN2/c1-5(2)9-4-3-6(7)8-9/h3-5H,1-2H3 |
InChI Key: | OQIHVCDANZPVDQ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-202016077-A | Novel method | 20181019 |
CN-112839927-A | Novel process | 20181019 |
KR-20210081363-A | new way | 20181019 |
WO-2019211463-A1 | Novel compounds | 20180504 |
AU-2019263682-A1 | Novel compounds | 20180504 |
Complexity: | 95.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.98105 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.98105 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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