Methyl 7-bromo-1-methylbenzodiazole-5-carboxylate - CAS 1420800-41-4
Catalog: |
BB059830 |
Product Name: |
Methyl 7-bromo-1-methylbenzodiazole-5-carboxylate |
CAS: |
1420800-41-4 |
Synonyms: |
Methyl 7-bromo-1-methylbenzodiazole-5-carboxylate; methyl 7-bromo-1-methylbenzimidazole-5-carboxylate |
IUPAC Name: | methyl 7-bromo-1-methylbenzimidazole-5-carboxylate |
Description: | Methyl 7-bromo-1-methylbenzodiazole-5-carboxylate |
Molecular Weight: | 269.09 |
Molecular Formula: | C10H9BrN2O2 |
Canonical SMILES: | CN1C=NC2=C1C(=CC(=C2)C(=O)OC)Br |
InChI: | InChI=1S/C10H9BrN2O2/c1-13-5-12-8-4-6(10(14)15-2)3-7(11)9(8)13/h3-5H,1-2H3 |
InChI Key: | GMQSAUSZCHGSSN-UHFFFAOYSA-N |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.98474 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.98474 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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