4-(2,4-Dichloro-5-methoxyphenoxy)aniline - CAS 125138-50-3

Catalog:	BB062831
Product Name:	4-(2,4-Dichloro-5-methoxyphenoxy)aniline
CAS:	125138-50-3
Synonyms:	4-(2,4-Dichloro-5-methoxyphenoxy)benzenamine

Technical Data

IUPAC Name:	4-(2,4-dichloro-5-methoxyphenoxy)aniline
Description:	4-(2,4-Dichloro-5-methoxyphenoxy)aniline is an intermediate formed in the synthesis of 2-[4-(2,4-Dichloro-5-hydroxyphenoxy)phenoxy]propanoic Acid Methyl Ester (D434675), the metabolite of Diclofop-methyl, used as a herbicide.
Molecular Weight:	284.14
Molecular Formula:	C13H11Cl2NO2
Canonical SMILES:	COC1=CC(=C(C=C1Cl)Cl)OC2=CC=C(C=C2)N
InChI:	InChI=1S/C13H11Cl2NO2/c1-17-12-7-13(11(15)6-10(12)14)18-9-4-2-8(16)3-5-9/h2-7H,16H2,1H3
InChI Key:	YFZJGOSUXAYGIV-UHFFFAOYSA-N
Solubility:	DCM, Ethyl Acetate, Methanol
Storage:	-20°C Freezer
References:	Tanaka, F. S., et al. J. Agri. Food Chem., 38, 553 (1990).

Complexity:	259
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	283.016684
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	283.016684
Rotatable Bond Count:	3
Topological Polar Surface Area:	44.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4