| CAS Number | 1423037-30-2 |
| Catalog Number | AG009WYG(AGN-PC-0WAD8T) |
| Chemical Name | Ethyl 7-bromo-1-methyl-1,2,3-benzotriazole-5-carboxylate |
| IUPAC Name | ethyl 7-bromo-1-methylbenzotriazole-5-carboxylate |
| InChI | InChI=1S/C10H10BrN3O2/c1-3-16-10(15)6-4-7(11)9-8(5-6)12-13-14(9)2/h4-5H,3H2,1-2H3 |
| InChI Key | UYDCEZGEAUFQOH-UHFFFAOYSA-N |
| MDL Number | MFCD23135971 |
| Molecular Formula | C10H10BrN3O2 |
| Molecular Weight | 284.1093 |
| SMILES | CCOC(=O)c1cc(Br)c2c(c1)nnn2C |
| Synonyms | Ethyl 7-bromo-1-methyl-1,2,3-benzotriazole-5-carboxylate,
1423037-30-2,
ZINC95496087,
V3187,
C10H10BrN3O2,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.113g/mol |
| Monoisotopic Mass | 282.996g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number