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141776-18-3 | Propanedinitrile, 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-
CAS No: 141776-18-3 Catalog No: AG001H19 MDL No:
Product Description
Catalog Number:
AG001H19
Chemical Name:
Propanedinitrile, 2-[2-(3,4-dichlorophenyl)-2-oxoethyl]-
CAS Number:
141776-18-3
Molecular Formula:
C11H6Cl2N2O
Molecular Weight:
253.0841
IUPAC Name:
2-[2-(3,4-dichlorophenyl)-2-oxoethyl]propanedinitrile
InChI:
InChI=1S/C11H6Cl2N2O/c12-9-2-1-8(4-10(9)13)11(16)3-7(5-14)6-15/h1-2,4,7H,3H2
InChI Key:
PAQTYQAUOSCQGW-UHFFFAOYSA-N
SMILES:
N#CC(CC(=O)c1ccc(c(c1)Cl)Cl)C#N
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.986g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.082g/mol
Monoisotopic Mass:
251.986g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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