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Chemical ID: 4731079
Chemical ID:
4731079
Name [?]:
ethyl 2-(4,5-dichloroimidazol-1-yl)acetate
SMILES [?]:
CCOC(=O)Cn1cnc(c1Cl)Cl
InChi [?]:
InChI=1/C7H8Cl2N2O2/c1-2-13-5(12)3-11-4-10-6(8)7(11)9/h4H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,8,4,10,11,13,12,9,7,5,3/rA:13nCCOCOCNCNCCClCl/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;s7d10;s11;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H8Cl2N2O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.42466 |
Area: | 386.447 |
Solvation: | -2.23651 |
Coulombic: | -31.6828 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 223.056 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.97 |
LogP (Chemaxon): | 0.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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