| CAS Number | 1019403-26-9 |
| Catalog Number | AG01EL7F |
| Chemical Name | Ethyl 4-iodo-5-methyl-1h-pyrazole-3-carboxylate |
| IUPAC Name | ethyl 4-iodo-5-methyl-1H-pyrazole-3-carboxylate |
| InChI | InChI=1S/C7H9IN2O2/c1-3-12-7(11)6-5(8)4(2)9-10-6/h3H2,1-2H3,(H,9,10) |
| InChI Key | LXFPQKKHIGHBEX-UHFFFAOYSA-N |
| MDL Number | MFCD22192683 |
| Molecular Formula | C7H9IN2O2 |
| Molecular Weight | 280.0630 |
| SMILES | CCOC(=O)C1=NNC(=C1I)C |
| Synonyms | Ethyl 4-iodo-3-methyl-1H-pyrazole-5-carboxylate,
ethyl 4-iodo-5-methyl-1H-pyrazole-3-carboxylate,
1019403-26-9,
SCHEMBL16100461,
LXFPQKKHIGHBEX-UHFFFAOYSA-N,
SBB073969,
ZINC72226903,
AKOS015920879,
MCULE-2413034314,
ethyl 4-iodo-3-methylpyrazole-5-carboxylate,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.065g/mol |
| Monoisotopic Mass | 279.971g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number