| CAS Number | 1305323-24-3 |
| Catalog Number | AG009X88(AGN-PC-0WRAAL) |
| Chemical Name | 3-Iodo-1-(oxan-2-yl)pyrazole |
| IUPAC Name | 3-iodo-1-(oxan-2-yl)pyrazole |
| InChI | InChI=1S/C8H11IN2O/c9-7-4-5-11(10-7)8-3-1-2-6-12-8/h4-5,8H,1-3,6H2 |
| InChI Key | XHBYURSURJVCBA-UHFFFAOYSA-N |
| MDL Number | MFCD22549337 |
| Molecular Formula | C8H11IN2O |
| Molecular Weight | 278.0902 |
| SMILES | Ic1ccn(n1)C1CCCCO1 |
| Synonyms | 3-Iodo-1-(oxan-2-yl)pyrazole,
1305323-24-3,
3-Iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole,
ACMC-209bix,
SCHEMBL19204932,
CTK8B0051,
ANW-19207,
KM5587,
TC-107952,
Z9508,
C8H11IN2O,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.093g/mol |
| Monoisotopic Mass | 277.992g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number