Methyl 7-bromo-2-oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylate - CAS 1301214-77-6
Catalog: |
BB059814 |
Product Name: |
Methyl 7-bromo-2-oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylate |
CAS: |
1301214-77-6 |
Synonyms: |
Methyl 7-bromo-2-oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylate; methyl 7-bromo-2-oxo-1,3-dihydrobenzimidazole-5-carboxylate; 1H-Benzimidazole-5-carboxylic acid, 7-bromo-2,3-dihydro-2-oxo-, methyl ester; Methyl7-bromo-2-oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylate |
IUPAC Name: | methyl 7-bromo-2-oxo-1,3-dihydrobenzimidazole-5-carboxylate |
Description: | Methyl 7-bromo-2-oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylate |
Molecular Weight: | 271.06 |
Molecular Formula: | C9H7BrN2O3 |
Canonical SMILES: | COC(=O)C1=CC2=C(C(=C1)Br)NC(=O)N2 |
InChI: | InChI=1S/C9H7BrN2O3/c1-15-8(13)4-2-5(10)7-6(3-4)11-9(14)12-7/h2-3H,1H3,(H2,11,12,14) |
InChI Key: | YWKSHESIUHOPDK-UHFFFAOYSA-N |
Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.964 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.964 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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