Chemical ID: 7310900

c1cc(c(c(c1)Cl)Cl)Oc2ccc(cc2C#N)[N+](=O)[O-]
Chemical ID:
7310900
Name [?]:
2-(2,3-dichlorophenoxy)-5-nitro-benzonitrile
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)Oc2ccc(cc2C#N)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H6Cl2N2O3/c14-10-2-1-3-12(13(10)15)20-11-5-4-9(17(18)19)6-8(11)7-16/h1-6H
InChi Info:
AuxInfo=1/0/N:1,6,2,12,11,14,16,15,13,5,10,3,4,7,8,17,18,19,20,9/E:(18,19)/CRV:17.5/rA:20nCCCCCCClClOCCCCCCCNN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;s10;d11;s12;d13;d10s14;s15;t16;s13;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H6Cl2N2O3
All Atoms:26
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:3.60573
Area:476.519
Solvation:-8.30724
Coulombic:-21.6145
Bond Count [?]
All:21
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:309.104
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.24
LogP (Chemaxon):4.28

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