Ethyl 2-(2-Chlorophenyl)-2-cyanoacetate - CAS 4383-51-1
Catalog: |
BB025478 |
Product Name: |
Ethyl 2-(2-Chlorophenyl)-2-cyanoacetate |
CAS: |
4383-51-1 |
Synonyms: |
2-(2-chlorophenyl)-2-cyanoacetic acid ethyl ester; ethyl 2-(2-chlorophenyl)-2-cyanoacetate |
IUPAC Name: | ethyl 2-(2-chlorophenyl)-2-cyanoacetate |
Description: | Ethyl 2-(2-Chlorophenyl)-2-cyanoacetate (CAS# 4383-51-1) is a chemical reagent in organic syntheses, often used in reactions displaying stereoselectivity. |
Molecular Weight: | 223.66 |
Molecular Formula: | C11H10ClNO2 |
Canonical SMILES: | CCOC(=O)C(C#N)C1=CC=CC=C1Cl |
InChI: | InChI=1S/C11H10ClNO2/c1-2-15-11(14)9(7-13)8-5-3-4-6-10(8)12/h3-6,9H,2H2,1H3 |
InChI Key: | RASKCCDHQWXWHO-UHFFFAOYSA-N |
LogP: | 2.51028 |
Publication Number | Title | Priority Date |
US-2020031775-A1 | Substituted n-arylethyl-2-arylquinoline-4-carboxamides and use thereof | 20170410 |
US-11136296-B2 | Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof | 20170410 |
AU-694166-B2 | Plant disease-controlling agent | 19940330 |
BG-99519-A | Preparation for plant disease control | 19940330 |
EP-0679643-A2 | Pyrazoline derivatives for controlling plant diseases | 19940330 |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.0400063 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.0400063 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 50.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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