| CAS Number | 1400644-56-5 |
| Catalog Number | AG009WT7(AGN-PC-0WADOC) |
| Chemical Name | Methyl 1-butyl-1,2,3-benzotriazole-5-carboxylate |
| IUPAC Name | methyl 1-butylbenzotriazole-5-carboxylate |
| InChI | InChI=1S/C12H15N3O2/c1-3-4-7-15-11-6-5-9(12(16)17-2)8-10(11)13-14-15/h5-6,8H,3-4,7H2,1-2H3 |
| InChI Key | ARZKGLJAFWRYFH-UHFFFAOYSA-N |
| MDL Number | MFCD22421553 |
| Molecular Formula | C12H15N3O2 |
| Molecular Weight | 233.2664 |
| SMILES | CCCCn1nnc2c1ccc(c2)C(=O)OC |
| Synonyms | METHYL 1-BUTYL-1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE,
1400644-56-5,
KM5690,
ZINC95496037,
V3003,
C12H15N3O2,
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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 | 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 | 5 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number