4-Formyl-3-(trifluoromethyl)benzonitrile - CAS 211796-64-4
Catalog: |
BB016666 |
Product Name: |
4-Formyl-3-(trifluoromethyl)benzonitrile |
CAS: |
211796-64-4 |
Synonyms: |
4-formyl-3-(trifluoromethyl)benzonitrile; 4-formyl-3-(trifluoromethyl)benzonitrile |
IUPAC Name: | 4-formyl-3-(trifluoromethyl)benzonitrile |
Description: | 4-Formyl-3-(trifluoromethyl)benzonitrile (CAS# 211796-64-4) is a useful research chemical. |
Molecular Weight: | 199.13 |
Molecular Formula: | C9H4F3NO |
Canonical SMILES: | C1=CC(=C(C=C1C#N)C(F)(F)F)C=O |
InChI: | InChI=1S/C9H4F3NO/c10-9(11,12)8-3-6(4-13)1-2-7(8)5-14/h1-3,5H |
InChI Key: | AIJWOPZFPUOMEO-UHFFFAOYSA-N |
LogP: | 3.28040 |
Publication Number | Title | Priority Date |
EP-3174876-A1 | Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity | 20140731 |
EP-3174876-B1 | Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity | 20140731 |
EP-3604308-A1 | Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity | 20140731 |
JP-2017522355-A | Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity | 20140731 |
JP-6501864-B2 | Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity | 20140731 |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.02449824 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.02449824 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
-
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
-
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
-
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
-
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
-
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
-
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS