4,7-Dichloroindole-3-carboxylic Acid - CAS 23872-35-7
Catalog: |
BB018219 |
Product Name: |
4,7-Dichloroindole-3-carboxylic Acid |
CAS: |
23872-35-7 |
Synonyms: |
4,7-dichloro-1H-indole-3-carboxylic acid; 4,7-dichloro-1H-indole-3-carboxylic acid |
IUPAC Name: | 4,7-dichloro-1H-indole-3-carboxylic acid |
Description: | 4,7-Dichloroindole-3-carboxylic Acid (CAS# 23872-35-7 ) is a useful research chemical. |
Molecular Weight: | 230.05 |
Molecular Formula: | C9H5Cl2NO2 |
Canonical SMILES: | C1=CC(=C2C(=C1Cl)C(=CN2)C(=O)O)Cl |
InChI: | InChI=1S/C9H5Cl2NO2/c10-5-1-2-6(11)8-7(5)4(3-12-8)9(13)14/h1-3,12H,(H,13,14) |
InChI Key: | KJLPACQPSMBYAU-UHFFFAOYSA-N |
LogP: | 3.17290 |
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: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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