4- (2,4,6-trichlorophenoxy) aniline

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CAS Number

26306-61-6

MDL Number

MFCD00673678

Smiles

Nc1ccc (Oc2c (Cl) cc (Cl) cc2Cl) cc1

Chemical Information

4-(2,4,6-Trichlorophenoxy)aniline

metabolite of herbicide CNP

CAS Number	26306-61-6
PubChem CID	33473
IUPAC Name	4-(2,4,6-trichlorophenoxy)aniline
Molecular Formula	C12H8Cl3NO
Molecular Weight	288.6
XLogP	4.2
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	234

SMILES

C1=CC(=CC=C1N)OC2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C12H8Cl3NO/c13-7-5-10(14)12(11(15)6-7)17-9-3-1-8(16)2-4-9/h1-6H,16H2

InChIKey

YDIXMXKRLYKJJM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26306-61-6

CID: 33473

Formula: C12H8Cl3NO

MW: 288.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.6
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	286.967147
Monoisotopic Mass	286.967147
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	234
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1041244-01	2- (2,4,6-Trichlorophenoxy) acetohydrazide
OR1063253-01	2- (2,4,6-Trichlorophenoxy) ethanol
OR95871-01	2- (2,4,6-Trichlorophenoxy) acetic acid
OR77992-01	2- (2,4,6-Trichlorophenoxy) ethan-1-amine hydrochloride
PC1023027	4- (2,6-difluorophenoxy) aniline
OR1053581-01	4- (2,6-Dimethylphenoxy) aniline
OR1038453	N- (Propyl (2- (2,4,6-trichlorophenoxy) ethyl) carbamoyl) formamide
OR1057720-01	4- (2,6-Diphenylpyridin-4-yl) aniline
OR7881-01	4- (4,6-Dimethoxypyrimidin-2-yl) aniline
OR33419-01	4- (2,6-Dimethylmorpholin-4-yl) aniline

Catalog	Name
sc-348542	4-[ (2,4,6-trichlorophenoxy) methyl]aniline
TRC-D474740-2.5G	4-(2,6-Dimethylmorpholino)aniline
sc-314255	4- (2,6-Dimethylmorpholino) aniline
ABA62720-01	2- (2,4,6-Trimethylphenyl) aniline
SNA57824-01	4-[2,6-Dimethylmorpholin-4-yl]aniline
429251-01	4- (4,6-Dimethoxypyrimidin-2-yl) aniline
FD37282-01	2,6-Dichloro-4- (trifluoromethyl) aniline
AAA44566-01	2,6-Dinitro-4- (trifluoromethyl) aniline
273555-01	2,6-Dibromo-4- (trifluoromethoxy) aniline
420717-01	2,6-Dibromo-4- (trifluoromethyl) aniline