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Ethyl (Z)-3-(4-Chlorophenyl)-2-cyanoacrylate

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

Technical Data

Patents

Computed Properties

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

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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