Ethyl 7-bromo-1H-1,2,3-benzotriazole-5-carboxylate - CAS 1246759-55-6
Catalog: |
BB063284 |
Product Name: |
Ethyl 7-bromo-1H-1,2,3-benzotriazole-5-carboxylate |
CAS: |
1246759-55-6 |
Synonyms: |
ETHYL 7-BROMO-1H-1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE; ethyl 7-bromo-2H-benzotriazole-5-carboxylate; Ethyl 7-bromo-1H-benzo[d][1,2,3]triazole-5-carboxylate; ethyl 4-bromo-1H-1,2,3-benzotriazole-6-carboxylate |
IUPAC Name: | ethyl 7-bromo-2H-benzotriazole-5-carboxylate |
Molecular Weight: | 270.08 |
Molecular Formula: | C9H8BrN3O2 |
Canonical SMILES: | CCOC(=O)C1=CC2=NNN=C2C(=C1)Br |
InChI: | InChI=1S/C9H8BrN3O2/c1-2-15-9(14)5-3-6(10)8-7(4-5)11-13-12-8/h3-4H,2H2,1H3,(H,11,12,13) |
InChI Key: | HJZDKZUAVJDISU-UHFFFAOYSA-N |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.97999 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.97999 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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