(2,6-Dichlorophenoxy) acetonitrile

CAT: 0024-sc-275485Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-275485Size:200 mg

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CAS Number

21244-78-0

Chemical Information

2-(2,6-Dichlorophenoxy)acetonitrile

CAS Number	21244-78-0
PubChem CID	2799245
IUPAC Name	2-(2,6-dichlorophenoxy)acetonitrile
Molecular Formula	C8H5Cl2NO
Molecular Weight	202.03
XLogP	2.9
Topological Polar Surface Area	33
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	179

SMILES

C1=CC(=C(C(=C1)Cl)OCC#N)Cl

InChI

InChI=1S/C8H5Cl2NO/c9-6-2-1-3-7(10)8(6)12-5-4-11/h1-3H,5H2

InChIKey

LVLKWYRHTDZICQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21244-78-0

CID: 2799245

Formula: C8H5Cl2NO

MW: 202.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.03
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	200.9748192
Monoisotopic Mass	200.9748192
Topological Polar Surface Area	33 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	179
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
sc-274073	2-[ (2,6-dichlorophenoxy) methyl]oxirane
sc-500637	2- (2,6-Dichlorophenoxy) propionic Acid
sc-216153	2- (6-Benzyloxyindolyl) acetonitrile
sc-266312	3- (2,6-Dichlorophenoxy) -1-propyne
sc-213677	2- (6-Methoxy-2-naphthyl) acetonitrile
sc-304713A	2- (2-Formyl-6-methoxyphenoxy) acetonitrile
sc-304713	2- (2-Formyl-6-methoxyphenoxy) acetonitrile
sc-304573	2- (2-Bromo-4,6-dichlorophenoxy) acetic acid
sc-341118A	2-amino-2- (2,6-dichlorophenyl) acetonitrile
sc-341118	2-amino-2- (2,6-dichlorophenyl) acetonitrile

Catalog	Name
OR29660-01	2- (2,6-dichlorophenoxy) acetonitrile
PBA96001-01	2- (2,3-Dichlorophenoxy) acetonitrile
OR29562-01	2- (2,4-dichlorophenoxy) acetonitrile
OR1098137	2- (3,4-Dichlorophenoxy) acetonitrile
GTR19252207-01	2- (3,5-Dichlorophenoxy) acetonitrile
262521-01	2- (6-Benzyloxyindolyl) acetonitrile
MBS6052454-01	2-(6-Benzyloxyindolyl)acetonitrile
270760-01	(2,6-Difluorophenyl) acetonitrile
WAA24481-01	2- (2,6-Dimethoxyphenoxy) acetonitrile
OR75312-01	2- (2,6-Dibromophenyl) acetonitrile