4-Iodo-1-isopropylpyrazole - CAS 313350-82-2
Catalog: |
BB020883 |
Product Name: |
4-Iodo-1-isopropylpyrazole |
CAS: |
313350-82-2 |
Synonyms: |
4-iodo-1-propan-2-ylpyrazole; 4-iodo-1-propan-2-ylpyrazole |
IUPAC Name: | 4-iodo-1-propan-2-ylpyrazole |
Description: | 4-Iodo-1-isopropylpyrazole (CAS# 313350-82-2) is a useful research chemical. |
Molecular Weight: | 236.05 |
Molecular Formula: | C6H9IN2 |
Canonical SMILES: | CC(C)N1C=C(C=N1)I |
InChI: | InChI=1S/C6H9IN2/c1-5(2)9-4-6(7)3-8-9/h3-5H,1-2H3 |
InChI Key: | CFXNVDUEBJYAAZ-UHFFFAOYSA-N |
LogP: | 2.06860 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021068816-A1 | Alkene-containing amide compound and use thereof | 20191008 |
WO-2021068820-A1 | Alkene-containing carboxylate compound and use thereof | 20191008 |
WO-2021032209-A1 | Anti-influenza virus compound, preparation method and use thereof | 20190822 |
WO-2020249664-A1 | Sulfonylurea derivatives and uses thereof | 20190612 |
US-2020157114-A1 | Optically active azabicyclo ring derivative | 20180827 |
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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Related Functional Groups
Pyrazoles
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