| CAS Number | 1803581-94-3 |
| Catalog Number | AG01EB8V(AGN-PC-0WCO8R) |
| Chemical Name | Methyl 3-iodo-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate |
| IUPAC Name | methyl 3-iodo-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate |
| InChI | InChI=1S/C9H11IN2O2/c1-14-9(13)5-2-3-6-7(4-5)11-12-8(6)10/h5H,2-4H2,1H3,(H,11,12) |
| InChI Key | ASGQEWAVHWBJRG-UHFFFAOYSA-N |
| MDL Number | MFCD28144334 |
| Molecular Formula | C9H11IN2O2 |
| Molecular Weight | 306.1003 |
| SMILES | COC(=O)C1CCc2c(n[nH]c2I)C1 |
| Synonyms | 1803581-94-3,
methyl 3-iodo-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate,
SCHEMBL18021184,
AKOS024627929,
F2167-1292,
methyl 3-iodo-4,5,6,7-tetrahydro-2H-indazole-6-carboxylate,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.103g/mol |
| Monoisotopic Mass | 305.987g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number