| CAS Number | 1400645-11-5 |
| Catalog Number | AG009X4G(AGN-PC-0WADP6) |
| Chemical Name | Methyl 1-tert-butyl-1,2,3-benzotriazole-5-carboxylate |
| IUPAC Name | methyl 1-tert-butylbenzotriazole-5-carboxylate |
| InChI | InChI=1S/C12H15N3O2/c1-12(2,3)15-10-6-5-8(11(16)17-4)7-9(10)13-14-15/h5-7H,1-4H3 |
| InChI Key | BGFNUHCYHZDKKU-UHFFFAOYSA-N |
| MDL Number | MFCD22421554 |
| Molecular Formula | C12H15N3O2 |
| Molecular Weight | 233.2664 |
| SMILES | COC(=O)C1=CC2=C(C=C1)N(N=N2)C(C)(C)C |
| Synonyms | 1400645-11-5,
METHYL 1-TERT-BUTYL-1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE,
Methyl 1-(tert-butyl)-1H-benzo[d][1,2,3]triazole-5-carboxylate,
KM5691,
MFCD22421554,
ZINC95496039,
AS-43607,
V3020,
Methyl 1-(t-butyl)-1H-benzo[d][1,2,3]triazole-5-carboxylate,
C12H15N3O2,
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| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.271g/mol |
| Monoisotopic Mass | 233.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number