| CAS Number | 124459-77-4 |
| Catalog Number | AG000M15(AGN-PC-0O0P6I) |
| Chemical Name | tert-Butyl 1H-indazole-3-carboxylate |
| IUPAC Name | tert-butyl 1H-indazole-3-carboxylate |
| InChI | InChI=1S/C12H14N2O2/c1-12(2,3)16-11(15)10-8-6-4-5-7-9(8)13-14-10/h4-7H,1-3H3,(H,13,14) |
| InChI Key | PZCUZCXHRSTAGA-UHFFFAOYSA-N |
| MDL Number | MFCD11976676 |
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.2518 |
| SMILES | O=C(c1n[nH]c2c1cccc2)OC(C)(C)C |
| Synonyms | 124459-77-4,
TERT-BUTYL 1H-INDAZOLE-3-CARBOXYLATE,
1H-Indazole-3-carboxylic acid, 1,1-dimethylethyl ester,
ACMC-20mr1n,
1h-indazole-3-carboxylic acid,1,1-dimethylethyl ester,
SCHEMBL5435670,
CTK0F7149,
DTXSID30497303,
3-tert-butoxycarbonyl-1H-indazole,
ZINC89065590,
AKOS017565705,
SC-32042,
SC-57714,
1H-Indazole-3-carboxylic acid tert-butyl ester,
1H-INDAZOLE-3-CARBOXYLIC ACID,1,1-DIMETHYLETHYL ES,
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| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.256g/mol |
| Monoisotopic Mass | 218.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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