| CAS Number | 599183-33-2 |
| Catalog Number | AG00ELNO(AGN-PC-03TCTY) |
| Chemical Name | N-Boc-3-Methyl-5-nitroindazole |
| IUPAC Name | tert-butyl 3-methyl-5-nitroindazole-1-carboxylate |
| InChI | InChI=1S/C13H15N3O4/c1-8-10-7-9(16(18)19)5-6-11(10)15(14-8)12(17)20-13(2,3)4/h5-7H,1-4H3 |
| InChI Key | KNSRZMXJWFBSQA-UHFFFAOYSA-N |
| MDL Number | MFCD13183004 |
| Molecular Formula | C13H15N3O4 |
| Molecular Weight | 277.2759 |
| SMILES | CC1=NN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C |
| Synonyms | tert-Butyl 3-methyl-5-nitro-1H-indazole-1-carboxylate,
599183-33-2,
SCHEMBL2144637,
N-Boc-3-Methyl-5-nitroindazole,
KNSRZMXJWFBSQA-UHFFFAOYSA-N,
MFCD13183004,
ZINC89195682,
AS-41083,
DA-41995,
FT-0737090,
tert-butyl 3-methyl-5-nitroindazole-1-carboxylate,
N-tert-butoxycarbonyl-3-methyl-5-nitro-1H-indazole,
1h-indazole-1-carboxylic acid,3-methyl-5-nitro-,1,1-dimethylethyl ester,
tert-butyl 3-methyl-5-nitro-1H-indazole-1-carboxylate, 95% - 1G 1g,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.28g/mol |
| Monoisotopic Mass | 277.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 89.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number