Methyl 7-bromo-1-ethyl-1,3-benzodiazole-5-carboxylate - CAS 1423037-23-3
Catalog: |
BB059831 |
Product Name: |
Methyl 7-bromo-1-ethyl-1,3-benzodiazole-5-carboxylate |
CAS: |
1423037-23-3 |
Synonyms: |
Methyl 7-bromo-1-ethyl-1,3-benzodiazole-5-carboxylate; methyl 7-bromo-1-ethylbenzimidazole-5-carboxylate |
IUPAC Name: | methyl 7-bromo-1-ethylbenzimidazole-5-carboxylate |
Description: | Methyl 7-bromo-1-ethyl-1,3-benzodiazole-5-carboxylate |
Molecular Weight: | 283.12 |
Molecular Formula: | C11H11BrN2O2 |
Canonical SMILES: | CCN1C=NC2=C1C(=CC(=C2)C(=O)OC)Br |
InChI: | InChI=1S/C11H11BrN2O2/c1-3-14-6-13-9-5-7(11(15)16-2)4-8(12)10(9)14/h4-6H,3H2,1-2H3 |
InChI Key: | BVADHESRDLHLAT-UHFFFAOYSA-N |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.00039 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.00039 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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