Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate - CAS 2169-68-8
Catalog: |
BB017091 |
Product Name: |
Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate |
CAS: |
2169-68-8 |
Synonyms: |
(E)-3-(4-chlorophenyl)-2-cyano-2-propenoic acid ethyl ester; ethyl (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate |
IUPAC Name: | ethyl (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoate |
Description: | Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate (CAS# 2169-68-8) is a useful research chemical. |
Molecular Weight: | 235.67 |
Molecular Formula: | C12H10ClNO2 |
Canonical SMILES: | CCOC(=O)C(=CC1=CC=C(C=C1)Cl)C#N |
InChI: | InChI=1S/C12H10ClNO2/c1-2-16-12(15)10(8-14)7-9-3-5-11(13)6-4-9/h3-7H,2H2,1H3/b10-7+ |
InChI Key: | KLUDCHZOLVGLQF-JXMROGBWSA-N |
Boiling Point: | 367.9 °C at 760 mmHg |
Density: | 1.249 g/cm3 |
MDL: | MFCD00454124 |
LogP: | 2.81008 |
Publication Number | Title | Priority Date |
CN-103351270-A | Method for catalyzing Knoevenagel condensation reaction by using function ion liquid | 20130515 |
CN-103351270-B | Method for catalyzing Knoevenagel condensation reaction by using function ion liquid | 20130515 |
CA-2656364-A1 | Dihydrothieno pyrimidines as akt protein kinase inhibitors | 20060706 |
EP-2054418-A1 | Dihydrothieno pyrimidines as akt protein kinase inhibitors | 20060706 |
EP-2054418-B1 | Dihydrothieno pyrimidines as akt protein kinase inhibitors | 20060706 |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 235.0400063 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.0400063 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 50.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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