4-Chloro-1H-indole-3-carbonitrile - CAS 889942-73-8
Catalog: |
BB039303 |
Product Name: |
4-Chloro-1H-indole-3-carbonitrile |
CAS: |
889942-73-8 |
Synonyms: |
4-chloro-1H-indole-3-carbonitrile; 4-chloro-1H-indole-3-carbonitrile |
IUPAC Name: | 4-chloro-1H-indole-3-carbonitrile |
Description: | 4-Chloro-1H-indole-3-carbonitrile (CAS# 889942-73-8 ) is a useful research chemical. |
Molecular Weight: | 176.60 |
Molecular Formula: | C9H5ClN2 |
Canonical SMILES: | C1=CC2=C(C(=C1)Cl)C(=CN2)C#N |
InChI: | InChI=1S/C9H5ClN2/c10-7-2-1-3-8-9(7)6(4-11)5-12-8/h1-3,5,12H |
InChI Key: | GETNWFHVVSHRPS-UHFFFAOYSA-N |
Boiling Point: | 383.825 °C at 760 mmHg |
Density: | 1.411 g/cm3 |
LogP: | 2.69298 |
Publication Number | Title | Priority Date |
US-2010056521-A1 | (aza)indole derivative and use thereof for medical purposes | 20070411 |
US-2011230454-A1 | (aza)indole derivative and use thereof for medical purposes | 20070411 |
US-2013252955-A1 | (aza)indole derivative and use thereof for medical purposes | 20070411 |
US-2014179932-A1 | (aza)indole derivative and use thereof for medical purposes | 20070411 |
US-8003647-B2 | (Aza)indole derivative and use thereof for medical purposes | 20070411 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.0141259 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.0141259 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 39.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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