2- (3,4-Dichlorophenoxy) nicotinonitrile

CAT: 0127-OR111474Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR111474Size:1 g

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CAS Number

99902-93-9

MDL Number

MFCD13238892

Purity

=95%

Smiles

Clc1ccc(Oc2ncccc2C#N)cc1Cl

Chemical Information

3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-

CAS Number	99902-93-9
PubChem CID	514885
IUPAC Name	2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile
Molecular Formula	C12H6Cl2N2O
Molecular Weight	265.09
XLogP	3.7
Topological Polar Surface Area	45.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	304

SMILES

C1=CC(=C(N=C1)OC2=CC(=C(C=C2)Cl)Cl)C#N

InChI

InChI=1S/C12H6Cl2N2O/c13-10-4-3-9(6-11(10)14)17-12-8(7-15)2-1-5-16-12/h1-6H

InChIKey

XYVUJRFTULRGGP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 99902-93-9

CID: 514885

Formula: C12H6Cl2N2O

MW: 265.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	265.09
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	263.9857182
Monoisotopic Mass	263.9857182
Topological Polar Surface Area	45.9 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	304
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
OR111487	2- (2,4-Dichlorophenoxy) nicotinonitrile
OR1098137	2- (3,4-Dichlorophenoxy) acetonitrile
OR75858-01	3- (2,4-Dichlorophenoxy) azetidine
PC300971	2- (4-Chloro-3-fluorophenoxy) nicotinonitrile
OR110472	2- (4-Bromophenoxy) nicotinonitrile
OR110948	2- (4-Chlorophenoxy) nicotinonitrile
PC300975	2- (4-Bromo-3-fluorophenoxy) nicotinonitrile
OR110471	2- (4-Formylphenoxy) nicotinonitrile
OR110473	2- (4-Iodophenoxy) nicotinonitrile
OR93335-01	2- (3,4-Dichlorophenoxy) ethanamine hydrochloride

Catalog	Name
430334-01	4-Amino-nicotinonitrile
GTR19252685-01	4- (Trifluoromethyl) nicotinonitrile
sc-339778A	2- (4-amino-3-methylphenoxy) nicotinonitrile
434497-01	5- (4-Formylphenyl) nicotinonitrile
sc-311217	6- (4-Formylphenyl) nicotinonitrile
sc-325673	6- (4-Propoxyphenoxy) nicotinonitrile
sc-506784	2- (4-Chlorophenoxy) nicotinonitrile
sc-506981	6- (4-Chlorophenoxy) nicotinonitrile
sc-307468A	2-Chloro-6- (3,4-dichlorophenyl) nicotinonitrile
sc-307391	2-Chloro-4- (4-fluorophenyl) nicotinonitrile