Pretilachlor

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CAS Number

51218-49-6

Synonyms

2-Chloro-2',6'-diethyl-N- (2-propoxyethyl) acetanilide

MDL Number

MFCD00161476

Purity

>97.0%

Smiles

CCCOCCN (C1=C (C=CC=C1CC) CC) C (=O) CCl

Chemical Information

Pretilachlor

Pretilachlor is an anilide.

CAS Number	51218-49-6
PubChem CID	91644
IUPAC Name	2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide
Molecular Formula	C17H26ClNO2
Molecular Weight	311.8
XLogP	4.1
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Heavy Atom Count	21
Formal Charge	0
Complexity	287

SMILES

CCCOCCN(C1=C(C=CC=C1CC)CC)C(=O)CCl

InChI

InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3

InChIKey

YLPGTOIOYRQOHV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 51218-49-6

CID: 91644

Formula: C17H26ClNO2

MW: 311.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	311.8
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	311.1652068
Monoisotopic Mass	311.1652068
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	287
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
CS-T-40494	Pretilachlor
HY-B2035R	Pretilachlor (Standard)
LCS-6092	1000 ug/mL Pretilachlor in HPLC Acetonitrile - 1ML