(E)-1,4-Dichloro-3-buten-2-one - CAS 69711-44-0

Catalog:	BB033935
Product Name:	(E)-1,4-Dichloro-3-buten-2-one
CAS:	69711-44-0
Synonyms:	(E)-1,4-dichloro-3-buten-2-one; (E)-1,4-dichlorobut-3-en-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	(E)-1,4-dichlorobut-3-en-2-one
Description:	(E)-1,4-Dichloro-3-buten-2-one (CAS# 69711-44-0 ) is a useful research chemical.
Molecular Weight:	138.98
Molecular Formula:	C4H4Cl2O
Canonical SMILES:	C(C(=O)C=CCl)Cl
InChI:	InChI=1S/C4H4Cl2O/c5-2-1-4(7)3-6/h1-2H,3H2/b2-1+
InChI Key:	HFDIJTIPFVXOED-OWOJBTEDSA-N
Boiling Point:	192.3 °C at 760 mmHg
Density:	1.286 g/cm³
LogP:	1.54680

Publication Number	Title	Priority Date
JP-2008189646-A	1,4-dichloro-3-buten-2-one compound and process for producing the same	20070205
EP-0723546-B1	1,2,4 - TRIZOLO[1,5-a]PYRIMIDINE AND THEIR USE FOR TREATMENT OF NEUROLOGICAL DISORDERS	19931013
US-5753665-A	Therapeutic agents	19931013
DE-4005258-A1	METHOD FOR THE PRODUCTION OF 3-THIENYLMALONESEUREDIALKYLESTERS	19900220
CA-2072019-A1	Process for the preparation of dialkyl 3-thienylmalonates	19891223

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Complexity:	87.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	137.9639201
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	137.9639201
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4