7-Bromobenzodiazole-5-carboxylic acid - CAS 1354757-98-4
Catalog: |
BB055246 |
Product Name: |
7-Bromobenzodiazole-5-carboxylic acid |
CAS: |
1354757-98-4 |
Synonyms: |
7-Bromobenzodiazole-5-carboxylic acid; 7-bromo-3H-benzimidazole-5-carboxylic acid; 7-Bromobenzodiazole-5-carboxylicacid; 4-Bromo-1H-benzimidazole-6-carboxylic acid; 7-bromo-1H-benzimidazole-5-carboxylic acid |
IUPAC Name: | 7-bromo-3H-benzimidazole-5-carboxylic acid |
Description: | 7-Bromobenzodiazole-5-carboxylic acid |
Molecular Weight: | 241.04 |
Molecular Formula: | C8H5BrN2O2 |
Canonical SMILES: | C1=C(C=C(C2=C1NC=N2)Br)C(=O)O |
InChI: | InChI=1S/C8H5BrN2O2/c9-5-1-4(8(12)13)2-6-7(5)11-3-10-6/h1-3H,(H,10,11)(H,12,13) |
InChI Key: | NGGYCSILUCEYDR-UHFFFAOYSA-N |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.95344 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.95344 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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