Chemical ID: 4117788

c1cc(ccc1C(C=O)C#N)Cl
Chemical ID:
4117788
Name [?]:
2-(4-chlorophenyl)-3-oxo-propanenitrile
SMILES [?]:
c1cc(ccc1C(C=O)C#N)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H6ClNO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:6.217
Area:356.578
Solvation:-2.69746
Coulombic:-10.3038
Bond Count [?]
All:12
Single:7
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:179.603
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.51
LogP (Chemaxon):1.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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