3-Methoxy-4-nitrobenzonitrile - CAS 177476-75-4
Catalog: |
BB013295 |
Product Name: |
3-Methoxy-4-nitrobenzonitrile |
CAS: |
177476-75-4 |
Synonyms: |
3-methoxy-4-nitrobenzonitrile; 3-methoxy-4-nitrobenzonitrile |
IUPAC Name: | 3-methoxy-4-nitrobenzonitrile |
Description: | 3-Methoxy-4-nitrobenzonitrile (CAS# 177476-75-4) is a useful research chemical. |
Molecular Weight: | 178.14 |
Molecular Formula: | C8H6N2O3 |
Canonical SMILES: | COC1=C(C=CC(=C1)C#N)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6N2O3/c1-13-8-4-6(5-9)2-3-7(8)10(11)12/h2-4H,1H3 |
InChI Key: | LCBUSDDLYBHQFA-UHFFFAOYSA-N |
Boiling Point: | 344.4 ℃ at 760 mmHg |
Density: | 1.32 g/cm3 |
MDL: | MFCD11977368 |
LogP: | 1.99828 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2017173999-A1 | Pyrazole-oxazolidinone compound for anti-hepatitis b virus | 20160406 |
US-2012046306-A1 | Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists | 20100818 |
WO-2012022707-A1 | Substituted heteroaryl spiropyrrolidine mdm2 antagonists | 20100818 |
US-2011269809-A1 | Spiroindolinone pyrrolidines | 20100428 |
US-8217044-B2 | Spiroindolinone pyrrolidines | 20100428 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.03784206 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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