Methyl 7-bromo-1H-benzodiazole-5-carboxylate - CAS 1354756-19-6
Catalog: |
BB059818 |
Product Name: |
Methyl 7-bromo-1H-benzodiazole-5-carboxylate |
CAS: |
1354756-19-6 |
Synonyms: |
methyl 4-bromo-1H-benzimidazole-6-carboxylate; Methyl 7-bromo-1H-benzodiazole-5-carboxylate; methyl 7-bromo-3H-benzimidazole-5-carboxylate; methyl 4-bromo-1H-1,3-benzodiazole-6-carboxylate; 7-Bromo-3H-benzoimidazole-5-carboxylic acid methyl ester |
IUPAC Name: | methyl 7-bromo-3H-benzimidazole-5-carboxylate |
Description: | Methyl 7-bromo-1H-benzodiazole-5-carboxylate |
Molecular Weight: | 255.06 |
Molecular Formula: | C9H7BrN2O2 |
Canonical SMILES: | COC(=O)C1=CC2=C(C(=C1)Br)N=CN2 |
InChI: | InChI=1S/C9H7BrN2O2/c1-14-9(13)5-2-6(10)8-7(3-5)11-4-12-8/h2-4H,1H3,(H,11,12) |
InChI Key: | CDYKPQFWNKHEEM-UHFFFAOYSA-N |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.96909 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.96909 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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