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N~1~- (2,4-dichlorophenyl) ethanediamide

CAT: 0024-sc-301452Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-301452Size:1 mg
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CAS Number
17738-96-4

Chemical Information

N~1~-(2,4-dichlorophenyl)ethanediamide
CAS Number17738-96-4
PubChem CID2766569
IUPAC NameN'-(2,4-dichlorophenyl)oxamide
Molecular FormulaC8H6Cl2N2O2
Molecular Weight233.05
XLogP1.5
Topological Polar Surface Area72.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity247
SMILES
C1=CC(=C(C=C1Cl)Cl)NC(=O)C(=O)N
InChI
InChI=1S/C8H6Cl2N2O2/c9-4-1-2-6(5(10)3-4)12-8(14)7(11)13/h1-3H,(H2,11,13)(H,12,14)
InChIKey
QFMMVGFIMJWMIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N~1~-(2,4-dichlorophenyl)ethanediamide
CAS: 17738-96-4
CID: 2766569
Formula: C8H6Cl2N2O2
MW: 233.05
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight233.05
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass231.9806328
Monoisotopic Mass231.9806328
Topological Polar Surface Area72.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity247
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