| CAS Number | 1345471-37-5 |
| Catalog Number | AG009X85(AGN-PC-0WD2DM) |
| Chemical Name | 5-Iodo-3-methyl-1-(THP)pyrazole |
| IUPAC Name | 5-iodo-3-methyl-1-(oxan-2-yl)pyrazole |
| InChI | InChI=1S/C9H13IN2O/c1-7-6-8(10)12(11-7)9-4-2-3-5-13-9/h6,9H,2-5H2,1H3 |
| InChI Key | GDUHNQSYXPRGHA-UHFFFAOYSA-N |
| MDL Number | MFCD20441934 |
| Molecular Formula | C9H13IN2O |
| Molecular Weight | 292.1168 |
| SMILES | CC1=NN(C2CCCCO2)C(I)=C1 |
| Synonyms | 1345471-37-5,
5-Iodo-3-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole,
5-Iodo-3-methyl-1-(THP)pyrazole,
5-Iodo-3-methyl-1-(oxan-2-yl)-1H-pyrazole,
C9H13IN2O,
SCHEMBL17377535,
DTXSID50718441,
MFCD20441934,
AM90043,
FCH1602819,
5-iodo-3-methyl-1-(oxan-2-yl)pyrazole,
AS-39763,
AX8255759,
Z9775,
K-4244,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.12g/mol |
| Monoisotopic Mass | 292.007g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number