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2- (2,6-Dichlorophenoxy) -N, N-dimethylacetamide

CAT: 0926-YPC64915-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-YPC64915-01Size:250 mg
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CAS Number
1623649-15-9
MDL Number
MFCD28505984
Smiles
CN (C) C (=O) COC1=C (C=CC=C1Cl) Cl
Molecular Formula
C10H11Cl2NO2
Molecular Weight
248.1 g/mol
Controlled
No

Chemical Information

2-(2,6-dichlorophenoxy)-N,N-dimethylacetamide
CAS Number1623649-15-9
PubChem CID78765476
IUPAC Name2-(2,6-dichlorophenoxy)-N,N-dimethylacetamide
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.10
XLogP2.7
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity213
SMILES
CN(C)C(=O)COC1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C10H11Cl2NO2/c1-13(2)9(14)6-15-10-7(11)4-3-5-8(10)12/h3-5H,6H2,1-2H3
InChIKey
DRMPKCSMQVXTPP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,6-dichlorophenoxy)-N,N-dimethylacetamide
CAS: 1623649-15-9
CID: 78765476
Formula: C10H11Cl2NO2
MW: 248.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight248.10
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass247.0166840
Monoisotopic Mass247.0166840
Topological Polar Surface Area29.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity213
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