3-(2,2-Dibromoacetyl)benzonitrile - CAS 212374-08-8
Catalog: |
BB016723 |
Product Name: |
3-(2,2-Dibromoacetyl)benzonitrile |
CAS: |
212374-08-8 |
Synonyms: |
3-(2,2-dibromo-1-oxoethyl)benzonitrile; 3-(2,2-dibromoacetyl)benzonitrile |
IUPAC Name: | 3-(2,2-dibromoacetyl)benzonitrile |
Description: | 3-(2,2-Dibromoacetyl)benzonitrile (CAS# 212374-08-8 ) is a useful research chemical. |
Molecular Weight: | 302.95 |
Molecular Formula: | C9H5Br2NO |
Canonical SMILES: | C1=CC(=CC(=C1)C(=O)C(Br)Br)C#N |
InChI: | InChI=1S/C9H5Br2NO/c10-9(11)8(13)7-3-1-2-6(4-7)5-12/h1-4,9H |
InChI Key: | ZVLLBQRGONKKBI-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-2003199508-A1 | Compounds and their therapeutic use | 20011221 |
US-6747057-B2 | Compounds and their therapeutic use | 20011221 |
WO-03055479-A1 | Compounds and their therapeutic use related to the phosphorylating activity of the enzyme gsk-3 | 20011221 |
PMID | Publication Date | Title | Journal |
21500862 | 20110623 | Switching reversibility to irreversibility in glycogen synthase kinase 3 inhibitors: clues for specific design of new compounds | Journal of medicinal chemistry |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.87174 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.87379 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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