| CAS Number | 1356998-41-8 |
| Catalog Number | AG01DHPR |
| Chemical Name | (4-Iodo-1,3-dimethyl-1H-pyrazol-5-yl)methanol |
| IUPAC Name | (4-iodo-2,5-dimethylpyrazol-3-yl)methanol |
| InChI | InChI=1S/C6H9IN2O/c1-4-6(7)5(3-10)9(2)8-4/h10H,3H2,1-2H3 |
| InChI Key | FBUYLCVUXNTMHH-UHFFFAOYSA-N |
| MDL Number | MFCD22581605 |
| Molecular Formula | C6H9IN2O |
| Molecular Weight | 252.0529 |
| SMILES | Cc1nn(C)c(CO)c1I |
| Synonyms | (4-Iodo-1,3-dimethyl-1H-pyrazol-5-yl)methanol,
1356998-41-8,
SCHEMBL14938067,
FBUYLCVUXNTMHH-UHFFFAOYSA-N,
MFCD22581605,
ZINC87493513,
AKOS027289046,
CS-0044137,
Y6019,
(4-IODO-2,5-DIMETHYLPYRAZOL-3-YL)METHANOL,
C6H9IN2O,
4-iodo-1,3-dimethyl-1H-Pyrazole-5-methanol,
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| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.055g/mol |
| Monoisotopic Mass | 251.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number