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2,6-DICHLOROPHENYLACETAMIDE

CAT: 0931-TD1249-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TD1249-02Size:10 mg
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CAS Number
78433-88-2
Bioactivity
2,6-DICHLOROPHENYLACETAMIDE, with CAS No. 78433-88-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 2,6-DICHLOROPHENYLACETAMIDE provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
NC(=O)Cc1c(Cl)cccc1Cl
Molecular Formula
C8H7Cl2NO
Molecular Weight
204.05
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(2,6-Dichlorophenyl)acetamide
CAS Number78433-88-2
PubChem CID3422379
IUPAC Name2-(2,6-dichlorophenyl)acetamide
Molecular FormulaC8H7Cl2NO
Molecular Weight204.05
XLogP2
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity164
SMILES
C1=CC(=C(C(=C1)Cl)CC(=O)N)Cl
InChI
InChI=1S/C8H7Cl2NO/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H2,11,12)
InChIKey
KEPLFZWNVMCJLI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,6-Dichlorophenyl)acetamide
CAS: 78433-88-2
CID: 3422379
Formula: C8H7Cl2NO
MW: 204.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.05
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass202.9904692
Monoisotopic Mass202.9904692
Topological Polar Surface Area43.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity164
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

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