Chemical ID: 5512521

CCOc1ccc(cc1C#N)Cl
Chemical ID:
5512521
Name [?]:
5-chloro-2-ethoxy-benzonitrile
SMILES [?]:
CCOc1ccc(cc1C#N)Cl
InChi [?]:
InChI=1/C9H8ClNO/c1-2-12-9-4-3-8(10)5-7(9)6-11/h3-5H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,5,8,10,9,7,4,12,11,3/rA:12nCCOCCCCCCCNCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;t10;s7;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8ClNO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.64109
Area:358.957
Solvation:-2.33284
Coulombic:-11.4366
Bond Count [?]
All:12
Single:8
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:181.619
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.7
LogP (Chemaxon):2.47

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Experimental Annotations

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Descriptor Annotations

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