2-(3-methylquinoxalin-2-yl)acetonitrile - CAS 91093-26-4
Catalog: |
BB040043 |
Product Name: |
2-(3-methylquinoxalin-2-yl)acetonitrile |
CAS: |
91093-26-4 |
Synonyms: |
2-(3-methyl-2-quinoxalinyl)acetonitrile; 2-(3-methylquinoxalin-2-yl)acetonitrile |
IUPAC Name: | 2-(3-methylquinoxalin-2-yl)acetonitrile |
Description: | 2-(3-methylquinoxalin-2-yl)acetonitrile (CAS# 91093-26-4 ) is a useful research chemical. |
Molecular Weight: | 183.214 |
Molecular Formula: | C11H9N3 |
Canonical SMILES: | CC1=NC2=CC=CC=C2N=C1CC#N |
InChI: | InChI=1S/C11H9N3/c1-8-9(6-7-12)14-11-5-3-2-4-10(11)13-8/h2-5H,6H2,1H3 |
InChI Key: | QDELWVQHBVDWLQ-UHFFFAOYSA-N |
LogP: | 2.00428 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.0796473 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.0796473 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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