Ethyl 7-bromo-1-methyl-1,3-benzodiazole-5-carboxylate - CAS 1423037-39-1
Catalog: |
BB065838 |
Product Name: |
Ethyl 7-bromo-1-methyl-1,3-benzodiazole-5-carboxylate |
CAS: |
1423037-39-1 |
Synonyms: |
Ethyl 7-bromo-1-methyl-1,3-benzodiazole-5-carboxylate; ethyl 7-bromo-1-methylbenzimidazole-5-carboxylate |
IUPAC Name: | ethyl 7-bromo-1-methylbenzimidazole-5-carboxylate |
Description: | Ethyl 7-bromo-1-methyl-1,3-benzodiazole-5-carboxylate |
Molecular Weight: | 283.12 |
Molecular Formula: | C11H11BrN2O2 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(C(=C1)Br)N(C=N2)C |
InChI: | InChI=1S/C11H11BrN2O2/c1-3-16-11(15)7-4-8(12)10-9(5-7)13-6-14(10)2/h4-6H,3H2,1-2H3 |
InChI Key: | KEQMEUPRNILOCX-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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