Chemical ID: 4731079

CCOC(=O)Cn1cnc(c1Cl)Cl
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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