2-(1H-Indazol-3-yl)acetonitrile - CAS 101714-15-2
Catalog: |
BB000620 |
Product Name: |
2-(1H-Indazol-3-yl)acetonitrile |
CAS: |
101714-15-2 |
Synonyms: |
2-(2H-indazol-3-yl)acetonitrile; 2-(2H-indazol-3-yl)acetonitrile |
IUPAC Name: | 2-(2H-indazol-3-yl)acetonitrile |
Description: | 2-(1H-Indazol-3-yl)acetonitrile (CAS# 101714-15-2 ) is a useful research chemical. |
Molecular Weight: | 157.17 |
Molecular Formula: | C9H7N3 |
Canonical SMILES: | C1=CC2=C(NN=C2C=C1)CC#N |
InChI: | InChI=1S/C9H7N3/c10-6-5-9-7-3-1-2-4-8(7)11-12-9/h1-4H,5H2,(H,11,12) |
InChI Key: | LCCXBLLWPANQHU-UHFFFAOYSA-N |
LogP: | 1.62898 |
Publication Number | Title | Priority Date |
CN-113425769-A | Traditional Chinese medicine composition for treating arthralgia and preparation method thereof | 20210722 |
EP-3307724-B1 | (z)-2-(1h-indol-3-yl)-3-(isoquinolin-5-yl)acrylonitrile derivatives and related compounds with lysosome inhibitory and anti-mitotic activity for treating hyperproliferative diseases | 20150612 |
JP-2018518536-A | Selective anticancer compounds | 20150612 |
US-10308631-B2 | Selective anti-cancer compounds | 20150612 |
US-2018179178-A1 | Selective anti-cancer compounds | 20150612 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.063997236 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.063997236 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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