5-Bromo-1-t-butyl-6-propoxybenzimidazole - CAS 1314985-53-9
Catalog: |
BB072346 |
Product Name: |
5-Bromo-1-t-butyl-6-propoxybenzimidazole |
CAS: |
1314985-53-9 |
Synonyms: |
5-Bromo-1-t-butyl-6-propoxybenzimidazole; 5-Bromo-1-(tert-butyl)-6-propoxy-1H-benzo[d]imidazole; 5-bromo-1-tert-butyl-6-propoxybenzimidazole; 5-Bromo-1-t-butyl-6-propoxy-1,3-benzodiazole; 5-Bromo-1-tert-butyl-6-propoxy-1H-benzimidazole |
IUPAC Name: | 5-bromo-1-tert-butyl-6-propoxybenzimidazole |
Description: | 5-Bromo-1-t-butyl-6-propoxybenzimidazole |
Molecular Weight: | 311.22 |
Molecular Formula: | C14H19BrN2O |
Canonical SMILES: | CCCOC1=C(C=C2C(=C1)N(C=N2)C(C)(C)C)Br |
InChI: | InChI=1S/C14H19BrN2O/c1-5-6-18-13-8-12-11(7-10(13)15)16-9-17(12)14(2,3)4/h7-9H,5-6H2,1-4H3 |
InChI Key: | IAJJHJVNODDTOT-UHFFFAOYSA-N |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.06808 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.06808 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 27Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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