6,7-Dichloro-1h-indole-2-carboxylic acid - CAS 383132-13-6
Catalog: |
BB067987 |
Product Name: |
6,7-Dichloro-1h-indole-2-carboxylic acid |
CAS: |
383132-13-6 |
Synonyms: |
6,7-dichloro-1H-indole-2-carboxylic Acid |
IUPAC Name: | 6,7-dichloro-1H-indole-2-carboxylic acid |
Description: | 6,7-Dichloro-1h-indole-2-carboxylic acid |
Molecular Weight: | 230.05 |
Molecular Formula: | C9H5Cl2NO2 |
Canonical SMILES: | C1=CC(=C(C2=C1C=C(N2)C(=O)O)Cl)Cl |
InChI: | InChI=1S/C9H5Cl2NO2/c10-5-2-1-4-3-6(9(13)14)12-8(4)7(5)11/h1-3,12H,(H,13,14) |
InChI Key: | TUXCSCQQWQOWDU-UHFFFAOYSA-N |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.9697338 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.9697338 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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