Chemical ID: 4514736

c1cc(c(cc1Cl)Cl)OCC#N
Chemical ID:
4514736
Name [?]:
2-(2,4-dichlorophenoxy)acetonitrile
SMILES [?]:
c1cc(c(cc1Cl)Cl)OCC#N
InChi [?]:
InChI=1/C8H5Cl2NO/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5H,4H2
InChi Info:
AuxInfo=1/0/N:1,2,11,10,5,6,4,3,7,8,12,9/rA:12nCCCCCCClClOCCN/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;t11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5Cl2NO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.41312
Area:372.106
Solvation:-2.88953
Coulombic:-11.247
Bond Count [?]
All:12
Single:8
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:202.037
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.67
LogP (Chemaxon):2.71

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Descriptor Annotations

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