4-Chlorophenyl Benzoate - CAS 2005-08-5

Catalog:	BB015478
Product Name:	4-Chlorophenyl Benzoate
CAS:	2005-08-5
Synonyms:	benzoic acid (4-chlorophenyl) ester; (4-chlorophenyl) benzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	(4-chlorophenyl) benzoate
Description:	4-Chlorophenyl Benzoate (CAS# 2005-08-5) is used as a reagent in the synthesis of phenstatin analogs via Fries rearrangement and Friedel-Crafts reaction. These biaryl analogs are antitubulin compounds.
Molecular Weight:	232.66
Molecular Formula:	C13H9ClO2
Canonical SMILES:	C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)Cl
InChI:	InChI=1S/C13H9ClO2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9H
InChI Key:	JKSIXXOEIXUYFW-UHFFFAOYSA-N
Boiling Point:	343.1 °C at 760 mmHg
Density:	1.258 g/cm³
Solubility:	Other solvents(Soluble) : Hot methanol
LogP:	3.55920

Publication Number	Title	Priority Date
CN-106831285-B	Method for converting amide and urea into ester	20170308
JP-2015067577-A	Process for producing polycyclic phenol derivatives	20130930
KR-20150007484-A	Novel Zn-MOF compounds, and carbon dioxide sorption and heterogeneous catalysts for transesterification comprising the same	20130711
KR-101519998-B1	Coordination polymers containing paddle wheel type Cu(â…¡) units connected bridging ligands, catalytic transesterification comprising the same	20130418
KR-20140125905-A	Coordination polymers containing paddle wheel type cu(ii) units connected bridging ligands, catalytic transesterification comprising the same	20130418

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Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.0291072
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.0291072
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2