5-Bromo-1h-indole-7-carboxylic acid - CAS 860624-90-4
Catalog: |
BB071420 |
Product Name: |
5-Bromo-1h-indole-7-carboxylic acid |
CAS: |
860624-90-4 |
Synonyms: |
5-Bromo-1H-indole-7-carboxylic acid; 5-Bromo indole-7-carboxylic acid; 1H-Indole-7-carboxylic acid, 5-bromo-; 5-Bromo-1H-indole-7-carboxylicacid |
IUPAC Name: | 5-bromo-1H-indole-7-carboxylic acid |
Description: | 5-Bromo-1h-indole-7-carboxylic acid |
Molecular Weight: | 240.05 |
Molecular Formula: | C9H6BrNO2 |
Canonical SMILES: | C1=CNC2=C(C=C(C=C21)Br)C(=O)O |
InChI: | InChI=1S/C9H6BrNO2/c10-6-3-5-1-2-11-8(5)7(4-6)9(12)13/h1-4,11H,(H,12,13) |
InChI Key: | VZYDZTIPNOBVNC-UHFFFAOYSA-N |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.95819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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