1-Ethyl-2-methylbenzodiazole-5-carboxylic acid - CAS 2788-73-0
Catalog: |
BB065507 |
Product Name: |
1-Ethyl-2-methylbenzodiazole-5-carboxylic acid |
CAS: |
2788-73-0 |
Synonyms: |
1-Ethyl-2-methyl-1H-benzoimidazole-5-carboxylic acid; 1-Ethyl-2-methylbenzodiazole-5-carboxylic acid; 1-ethyl-2-methylbenzimidazole-5-carboxylic acid |
IUPAC Name: | 1-ethyl-2-methylbenzimidazole-5-carboxylic acid |
Description: | 1-Ethyl-2-methylbenzodiazole-5-carboxylic acid |
Molecular Weight: | 204.23 |
Molecular Formula: | C11H12N2O2 |
Canonical SMILES: | CCN1C(=NC2=C1C=CC(=C2)C(=O)O)C |
InChI: | InChI=1S/C11H12N2O2/c1-3-13-7(2)12-9-6-8(11(14)15)4-5-10(9)13/h4-6H,3H2,1-2H3,(H,14,15) |
InChI Key: | CSZOHYLMFSLLFZ-UHFFFAOYSA-N |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.08987763 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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