3-Methoxy-4-(trifluoromethyl)benzonitrile - CAS 447-93-8
Catalog: |
BB025708 |
Product Name: |
3-Methoxy-4-(trifluoromethyl)benzonitrile |
CAS: |
447-93-8 |
Synonyms: |
3-methoxy-4-(trifluoromethyl)benzonitrile; 3-methoxy-4-(trifluoromethyl)benzonitrile |
IUPAC Name: | 3-methoxy-4-(trifluoromethyl)benzonitrile |
Description: | 3-Methoxy-4-(trifluoromethyl)benzonitrile (CAS# 447-93-8) is a reagent in the synthesis of pyridine and pyrimidine derivatives as mGluR2 antagonists. |
Molecular Weight: | 201.15 |
Molecular Formula: | C9H6F3NO |
Canonical SMILES: | COC1=C(C=CC(=C1)C#N)C(F)(F)F |
InChI: | InChI=1S/C9H6F3NO/c1-14-8-4-6(5-13)2-3-7(8)9(10,11)12/h2-4H,1H3 |
InChI Key: | QASUCJMIPAXDOB-UHFFFAOYSA-N |
MDL: | MFCD13185685 |
LogP: | 2.58568 |
Publication Number | Title | Priority Date |
WO-2020012423-A1 | Thiadiazine derivatives | 20180713 |
AU-2019300515-A1 | Thiadiazine derivatives | 20180713 |
CN-112424198-A | Thiadiazine derivatives | 20180713 |
KR-20210033003-A | Thiadiazine derivatives | 20180713 |
BR-112020027016-A2 | COMPOUND, USE OF COMPOUND, METHOD FOR TREATING OR PREVENTING A DISORDER ASSOCIATED WITH ACETYLCHOLINE NICOTINIC RECEIVER A7 ACTIVITY, PHARMACEUTICAL COMPOSITION, COMBINATION, AND, PROCESS FOR COMPOUND MANUFACTURING | 20180713 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.0401483 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.0401483 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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