3-(2,6-dichlorophenyl)-3-oxopropanenitrile


Chemical Name: 3-(2,6-dichlorophenyl)-3-oxopropanenitrile
CAS Number: 71463-50-8
Product Number: AG005UD2(AGN-PC-0KNX78)
Synonyms:
MDL No:
Molecular Formula: C9H5Cl2NO
Molecular Weight: 214.0481

Identification/Properties


Computed Properties
Molecular Weight:
214.045g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
212.975g/mol
Monoisotopic Mass:
212.975g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
235
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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