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Chemical ID: 4514736
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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