7-Bromo-1-propyl-1,3-benzodiazole-5-carboxylic acid - CAS 1437794-76-7
Catalog: |
BB071587 |
Product Name: |
7-Bromo-1-propyl-1,3-benzodiazole-5-carboxylic acid |
CAS: |
1437794-76-7 |
Synonyms: |
7-Bromo-1-propyl-1,3-benzodiazole-5-carboxylic acid; 7-bromo-1-propylbenzimidazole-5-carboxylic acid |
IUPAC Name: | 7-bromo-1-propylbenzimidazole-5-carboxylic acid |
Description: | 7-Bromo-1-propyl-1,3-benzodiazole-5-carboxylic acid |
Molecular Weight: | 283.12 |
Molecular Formula: | C11H11BrN2O2 |
Canonical SMILES: | CCCN1C=NC2=C1C(=CC(=C2)C(=O)O)Br |
InChI: | InChI=1S/C11H11BrN2O2/c1-2-3-14-6-13-9-5-7(11(15)16)4-8(12)10(9)14/h4-6H,2-3H2,1H3,(H,15,16) |
InChI Key: | IXZZRFVEOPLAAU-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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.00039 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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