3-Methyl-5-nitrobenzonitrile - CAS 124289-22-1
Catalog: |
BB005869 |
Product Name: |
3-Methyl-5-nitrobenzonitrile |
CAS: |
124289-22-1 |
Synonyms: |
3-methyl-5-nitrobenzonitrile; 3-methyl-5-nitrobenzonitrile |
IUPAC Name: | 3-methyl-5-nitrobenzonitrile |
Description: | 3-Methyl-5-nitrobenzonitrile (CAS# 124289-22-1) is a useful research chemical. |
Molecular Weight: | 162.15 |
Molecular Formula: | C8H6N2O2 |
Canonical SMILES: | CC1=CC(=CC(=C1)C#N)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6N2O2/c1-6-2-7(5-9)4-8(3-6)10(11)12/h2-4H,1H3 |
InChI Key: | WEWBXIHWZDLYSN-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.29808 |
Publication Number | Title | Priority Date |
WO-2020117877-A1 | Compounds, compositions and methods of use | 20181204 |
US-2018057465-A1 | Inhibitors of Necroptosis | 20150210 |
EP-2900645-A1 | 3-phenylisoxazolin derivatives with herbicidal action | 20120925 |
CN-102115452-A | (E)-3-(3-substituted-5-methylphenyl)acrylonitrile and preparation method thereof | 20091230 |
WO-2011079704-A1 | (e)-3-(3-substituted-5-methylphenyl) arylonitrile and preparation methods thereof | 20091230 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.042927438 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 69.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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