1-Cyclohexene-1-carbonyl Chloride - CAS 36278-22-5

Catalog:	BB022928
Product Name:	1-Cyclohexene-1-carbonyl Chloride
CAS:	36278-22-5
Synonyms:	1-cyclohexenecarbonyl chloride; cyclohexene-1-carbonyl chloride

Technical Data

Patents

Computed Properties

IUPAC Name:	cyclohexene-1-carbonyl chloride
Description:	1-Cyclohexene-1-carbonyl Chloride (CAS# 36278-22-5) is a reagent used in the synthesis of anti-inflammatory broad-spectrum chemokine inhibitors.
Molecular Weight:	144.60
Molecular Formula:	C7H9ClO
Canonical SMILES:	C1CCC(=CC1)C(=O)Cl
InChI:	InChI=1S/C7H9ClO/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2
InChI Key:	OXARPLABDJXAQJ-UHFFFAOYSA-N
Boiling Point:	203.9 °C at 760 mmHg
Density:	1.167 g/cm³
MDL:	MFCD00037154
LogP:	2.25220

Publication Number	Title	Priority Date
WO-2021068816-A1	Alkene-containing amide compound and use thereof	20191008
WO-2021068820-A1	Alkene-containing carboxylate compound and use thereof	20191008
JP-2021050143-A	Epoxy compound manufacturing method	20190920
WO-2021054224-A1	Epoxy compound production method	20190920
JP-2020143260-A	Method for producing polysaccharide derivative and method for producing lignin derivative	20190308

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Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.0341926
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	144.0341926
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7