2-Methyl-3-nitrobenzonitrile - CAS 71516-35-3
Catalog: |
BB034412 |
Product Name: |
2-Methyl-3-nitrobenzonitrile |
CAS: |
71516-35-3 |
Synonyms: |
2-methyl-3-nitrobenzonitrile; 2-methyl-3-nitrobenzonitrile |
IUPAC Name: | 2-methyl-3-nitrobenzonitrile |
Description: | 2-Methyl-3-nitrobenzonitrile (CAS# 71516-35-3) is a useful research chemical. |
Molecular Weight: | 162.15 |
Molecular Formula: | C8H6N2O2 |
Canonical SMILES: | CC1=C(C=CC=C1[N+](=O)[O-])C#N |
InChI: | InChI=1S/C8H6N2O2/c1-6-7(5-9)3-2-4-8(6)10(11)12/h2-4H,1H3 |
InChI Key: | FTFQRHBFTRLIND-UHFFFAOYSA-N |
Boiling Point: | 269.8 °C at 760 mmHg |
Density: | 1.26 g/cm3 |
MDL: | MFCD09025714 |
LogP: | 2.29808 |
Publication Number | Title | Priority Date |
CN-108530335-B | Indole compound and preparation method and application thereof | 20180521 |
EP-2582668-A1 | Carboline carboxamide compounds useful as kinase inhibitors | 20100616 |
EP-2582668-B1 | Carboline carboxamide compounds useful as kinase inhibitors | 20100616 |
US-2013096118-A1 | Carboline carboxamide compounds useful as kinase inhibitors | 20100616 |
US-8685969-B2 | Carboline carboxamide compounds useful as kinase inhibitors | 20100616 |
PMID | Publication Date | Title | Journal |
21581435 | 20081129 | 2-Methyl-3-nitro-benzonitrile | Acta crystallographica. Section E, Structure reports online |
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: | 2.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS