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Acetoxon

CAT: 0013-GTR19195951-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195951-01Size:25 mg
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Description
Acetoxon is a biochemical compound utilized in research. It serves as a substrate or intermediate in enzymatic studies, particularly relevant for investigating esterase and lipase activity in both in vitro assays and cellular research models.
CAS Number
17742-68-6
Smiles
O=C (NC1=C (Cl) C=C (C=C1Cl) N (=O) =O) C
Molecular Formula
C8H6Cl2N2O3
Molecular Weight
249.05
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(2,6-dichloro-4-nitrophenyl)acetamide

See also: 2',6'-Dichloro-4'-nitroacetanilide (annotation moved to).

CAS Number17742-68-6
PubChem CID176948
IUPAC NameN-(2,6-dichloro-4-nitrophenyl)acetamide
Molecular FormulaC8H6Cl2N2O3
Molecular Weight249.05
XLogP2.2
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity257
SMILES
CC(=O)NC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C8H6Cl2N2O3/c1-4(13)11-8-6(9)2-5(12(14)15)3-7(8)10/h2-3H,1H3,(H,11,13)
InChIKey
LLGBQJPFOBDFTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,6-dichloro-4-nitrophenyl)acetamide
CAS: 17742-68-6
CID: 176948
Formula: C8H6Cl2N2O3
MW: 249.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.05
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass247.9755474
Monoisotopic Mass247.9755474
Topological Polar Surface Area74.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity257
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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CatalogName
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