(2E)-3-{2-Chloro-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}acrylic acid - CAS 937599-04-7

Name: (2E)-3-{2-Chloro-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}acrylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB049007
Product Name:	(2E)-3-{2-Chloro-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}acrylic acid
CAS:	937599-04-7
Synonyms:	(2E)-3-{2-chloro-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}prop-2-enoic acid; (2E)-3-{2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}prop-2-enoic acid; 2-Propenoic acid, 3-[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-, (2E)-

Technical Data

IUPAC Name:	(E)-3-[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enoic acid
Description:	(2E)-3-{2-Chloro-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}acrylic acid (CAS# 937599-04-7 ) is a useful research chemical.
Molecular Weight:	353.20
Molecular Formula:	C17H14Cl2O4
Canonical SMILES:	COC1=C(C=C(C(=C1)C=CC(=O)O)Cl)OCC2=CC=CC=C2Cl
InChI:	InChI=1S/C17H14Cl2O4/c1-22-15-8-11(6-7-17(20)21)14(19)9-16(15)23-10-12-4-2-3-5-13(12)18/h2-9H,10H2,1H3,(H,20,21)/b7-6+
InChI Key:	ABGRTTPDQCERDW-VOTSOKGWSA-N
Boiling Point:	521.6±45.0 °C (Predicted)
Purity:	≥ 90 %
Density:	1.370±0.06 g/cm³ (Predicted)

Complexity:	415
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	352.0269143
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	352.0269143
Rotatable Bond Count:	6
Topological Polar Surface Area:	55.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6