7-Bromo-1,2-dimethylbenzodiazole-5-carboxylic acid - CAS 1420800-25-4
Catalog: |
BB055313 |
Product Name: |
7-Bromo-1,2-dimethylbenzodiazole-5-carboxylic acid |
CAS: |
1420800-25-4 |
Synonyms: |
7-Bromo-1,2-dimethylbenzodiazole-5-carboxylic acid; 7-bromo-1,2-dimethylbenzimidazole-5-carboxylic acid; 7-BROMO-1,2-DIMETHYL-1H-1,3-BENZODIAZOLE-5-CARBOXYLIC ACID |
IUPAC Name: | 7-bromo-1,2-dimethylbenzimidazole-5-carboxylic acid |
Description: | 7-Bromo-1,2-dimethylbenzodiazole-5-carboxylic acid |
Molecular Weight: | 269.09 |
Molecular Formula: | C10H9BrN2O2 |
Canonical SMILES: | CC1=NC2=C(N1C)C(=CC(=C2)C(=O)O)Br |
InChI: | InChI=1S/C10H9BrN2O2/c1-5-12-8-4-6(10(14)15)3-7(11)9(8)13(5)2/h3-4H,1-2H3,(H,14,15) |
InChI Key: | LXENVJKUNCQATJ-UHFFFAOYSA-N |
Complexity: | 274 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.98474 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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