Ethyl (4-chlorophenyl)cyanoacetate - CAS 15032-43-6
Catalog: |
BB063289 |
Product Name: |
Ethyl (4-chlorophenyl)cyanoacetate |
CAS: |
15032-43-6 |
Synonyms: |
ethyl 2-(4-chlorophenyl)-2-cyanoacetate; (4-Chlorophenyl)cyanoacetic acid ethyl ester; ethyl (4-chlorophenyl)(cyano)acetate |
IUPAC Name: | ethyl 2-(4-chlorophenyl)-2-cyanoacetate |
Molecular Weight: | 223.66 |
Molecular Formula: | C11H10ClNO2 |
Canonical SMILES: | CCOC(=O)C(C#N)C1=CC=C(C=C1)Cl |
InChI: | InChI=1S/C11H10ClNO2/c1-2-15-11(14)10(7-13)8-3-5-9(12)6-4-8/h3-6,10H,2H2,1H3 |
InChI Key: | NZMYLLIHPJDUNT-UHFFFAOYSA-N |
Complexity: | 263 |
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: | 50.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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