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2- (3-Chlorophenoxy) acetamide

CAT: 0013-GTR19252511-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19252511-02Size:2 mg
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Description
2- (3-Chlorophenoxy) acetamide
CAS Number
35368-69-5
Smiles
NC (=O) COC1=CC (Cl) =CC=C1
Molecular Formula
C8H8ClNO2
Molecular Weight
185.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(3-Chlorophenoxy)acetamide
CAS Number35368-69-5
PubChem CID2745969
IUPAC Name2-(3-chlorophenoxy)acetamide
Molecular FormulaC8H8ClNO2
Molecular Weight185.61
XLogP1.4
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity163
SMILES
C1=CC(=CC(=C1)Cl)OCC(=O)N
InChI
InChI=1S/C8H8ClNO2/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKey
AQKKPJWLYFXFHF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Chlorophenoxy)acetamide
CAS: 35368-69-5
CID: 2745969
Formula: C8H8ClNO2
MW: 185.61
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight185.61
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass185.0243562
Monoisotopic Mass185.0243562
Topological Polar Surface Area52.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes