Methyl 7-bromo-1-ethyl-2-methyl-1,3-benzodiazole-5-carboxylate - CAS 1423037-29-9
Catalog: |
BB059833 |
Product Name: |
Methyl 7-bromo-1-ethyl-2-methyl-1,3-benzodiazole-5-carboxylate |
CAS: |
1423037-29-9 |
Synonyms: |
Methyl 7-bromo-1-ethyl-2-methyl-1,3-benzodiazole-5-carboxylate; methyl 7-bromo-1-ethyl-2-methylbenzimidazole-5-carboxylate |
IUPAC Name: | methyl 7-bromo-1-ethyl-2-methylbenzimidazole-5-carboxylate |
Description: | Methyl 7-bromo-1-ethyl-2-methyl-1,3-benzodiazole-5-carboxylate |
Molecular Weight: | 297.15 |
Molecular Formula: | C12H13BrN2O2 |
Canonical SMILES: | CCN1C(=NC2=C1C(=CC(=C2)C(=O)OC)Br)C |
InChI: | InChI=1S/C12H13BrN2O2/c1-4-15-7(2)14-10-6-8(12(16)17-3)5-9(13)11(10)15/h5-6H,4H2,1-3H3 |
InChI Key: | RMRHESPOOYBRBD-UHFFFAOYSA-N |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.01604 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.01604 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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