5-Bromo-1-t-butyl-6-ethoxybenzimidazole - CAS 1314988-54-9
Catalog: |
BB072357 |
Product Name: |
5-Bromo-1-t-butyl-6-ethoxybenzimidazole |
CAS: |
1314988-54-9 |
Synonyms: |
5-Bromo-1-(tert-butyl)-6-ethoxy-1H-benzo[d]imidazole; 5-Bromo-1-t-butyl-6-ethoxybenzimidazole; 5-bromo-1-tert-butyl-6-ethoxybenzimidazole; 5-BROMO-1-TERT-BUTYL-6-ETHOXY-1,3-BENZODIAZOLE; 5-Bromo-1-tert-butyl-6-ethoxy-1H-benzimidazole |
IUPAC Name: | 5-bromo-1-tert-butyl-6-ethoxybenzimidazole |
Description: | 5-Bromo-1-t-butyl-6-ethoxybenzimidazole |
Molecular Weight: | 297.19 |
Molecular Formula: | C13H17BrN2O |
Canonical SMILES: | CCOC1=C(C=C2C(=C1)N(C=N2)C(C)(C)C)Br |
InChI: | InChI=1S/C13H17BrN2O/c1-5-17-12-7-11-10(6-9(12)14)15-8-16(11)13(2,3)4/h6-8H,5H2,1-4H3 |
InChI Key: | UTWAHJMUSZXDKQ-UHFFFAOYSA-N |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.05243 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.05243 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 27Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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