Chemical ID: 4729810

c1ccc(c(c1)C#N)Oc2ccc(cc2Cl)Cl
Chemical ID:
4729810
Name [?]:
2-(2,4-dichlorophenoxy)benzonitrile
SMILES [?]:
c1ccc(c(c1)C#N)Oc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C13H7Cl2NO/c14-10-5-6-13(11(15)7-10)17-12-4-2-1-3-9(12)8-16/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,11,14,7,5,13,15,4,10,17,16,8,9/rA:17nCCCCCCCNOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;s9;s10;d11;s12;d13;d10s14;s15;s13;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H7Cl2NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.68564
Area:431.727
Solvation:-2.10753
Coulombic:-13.4481
Bond Count [?]
All:18
Single:11
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:264.106
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.47
LogP (Chemaxon):4.33

Name Annotations

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Descriptor Annotations

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