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2',6'-Dichloroacetanilide

CAT: 0572-TRC-D431615-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D431615-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17700-54-8
Synonyms
N-(2,6-Dichlorophenyl)acetamide; 2',6'-Dichloroacetanilide; N-Acetyl-2,6-dichloroaniline; NSC 158653; 2',6'-Dichloro-acetanilide;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CC(=O)Nc1c(Cl)cccc1Cl
Molecular Formula
C8H7Cl2NO
Molecular Weight
204.05
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Acetamide, N-(2,6-dichlorophenyl)-
CAS Number17700-54-8
PubChem CID28698
IUPAC NameN-(2,6-dichlorophenyl)acetamide
Molecular FormulaC8H7Cl2NO
Molecular Weight204.05
XLogP1.3
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity164
SMILES
CC(=O)NC1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C8H7Cl2NO/c1-5(12)11-8-6(9)3-2-4-7(8)10/h2-4H,1H3,(H,11,12)
InChIKey
DWVWVSLAIJHBBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetamide, N-(2,6-dichlorophenyl)-
CAS: 17700-54-8
CID: 28698
Formula: C8H7Cl2NO
MW: 204.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.05
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass202.9904692
Monoisotopic Mass202.9904692
Topological Polar Surface Area29.1 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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