Chemical ID: 3969945

Cc1cccc(c1C#N)Cl
Chemical ID:
3969945
Name [?]:
2-chloro-6-methyl-benzonitrile
SMILES [?]:
Cc1cccc(c1C#N)Cl
InChi [?]:
InChI=1/C8H6ClN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,8,2,7,6,10,9/rA:10nCCCCCCCCNCl/rB:s1;s2;d3;s4;d5;d2s6;s7;t8;s6;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6ClN
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.75216
Area:305.592
Solvation:-0.887623
Coulombic:-5.14437
Bond Count [?]
All:10
Single:6
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:151.593
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.8
LogP (Chemaxon):2.85

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Experimental Annotations

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Descriptor Annotations

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