| CAS Number | 944904-57-8 |
| Catalog Number | AG00II9X(AGN-PC-0WA4UC) |
| Chemical Name | 1-tert-Butyl 5-methyl 3-iodo-1H-indazole-1,5-dicarboxylate |
| IUPAC Name | 1-O-tert-butyl 5-O-methyl 3-iodoindazole-1,5-dicarboxylate |
| InChI | InChI=1S/C14H15IN2O4/c1-14(2,3)21-13(19)17-10-6-5-8(12(18)20-4)7-9(10)11(15)16-17/h5-7H,1-4H3 |
| InChI Key | GLKLIQCSYBOCII-UHFFFAOYSA-N |
| MDL Number | MFCD10696824 |
| Molecular Formula | C14H15IN2O4 |
| Molecular Weight | 402.1844 |
| SMILES | O=C(N1N=C(I)C2=C1C=CC(C(OC)=O)=C2)OC(C)(C)C |
| Synonyms | 944904-57-8,
1-TERT-BUTYL 5-METHYL 3-IODO-1H-INDAZOLE-1,5-DICARBOXYLATE,
METHYL 1-BOC-3-IODO-1H-INDAZOLE-5-CARBOXYLATE,
DTXSID80857458,
MFCD10696824,
SC4280,
ZINC89195655,
AKOS027338446,
AB58264,
AS-54663,
1-O-tert-butyl 5-O-methyl 3-iodoindazole-1,5-dicarboxylate,
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| Complexity | 424 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 402.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 402.188g/mol |
| Monoisotopic Mass | 402.008g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number