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2- (2-Chlorophenoxy) acetamide

CAT: 0127-OR1053431-03Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1053431-03Size:25 g
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CAS Number
35368-68-4
MDL Number
MFCD00173819
Purity
95%
Smiles
O=C(N)COC1=CC=CC=C1Cl

Chemical Information

2-(2-Chlorophenoxy)acetamide
CAS Number35368-68-4
PubChem CID97329
IUPAC Name2-(2-chlorophenoxy)acetamide
Molecular FormulaC8H8ClNO2
Molecular Weight185.61
XLogP1.2
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=C(C(=C1)OCC(=O)N)Cl
InChI
InChI=1S/C8H8ClNO2/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKey
VFUNLXYSSCTXBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Chlorophenoxy)acetamide
CAS: 35368-68-4
CID: 97329
Formula: C8H8ClNO2
MW: 185.61
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight185.61
XLogP31.2
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