Chemical ID: 4703670

CCOC(=O)c1nc(n(n1)c2cc(cc(c2)Cl)Cl)C
Chemical ID:
4703670
Name [?]:
ethyl 1-(3,5-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate
SMILES [?]:
CCOC(=O)c1nc(n(n1)c2cc(cc(c2)Cl)Cl)C
InChi [?]:
InChI=1/C12H11Cl2N3O2/c1-3-19-12(18)11-15-7(2)17(16-11)10-5-8(13)4-9(14)6-10/h4-6H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,14,12,16,8,13,15,11,6,4,18,17,7,10,9,5,3/E:(5,6)(8,9)(13,14)/rA:19nCCOCOCNCNNCCCCCCClClC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s9;s11;d12;s13;d14;d11s15;s15;s13;s8;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11Cl2N3O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.4142
Area:496.016
Solvation:-1.9862
Coulombic:-33.7587
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:300.14
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.47
LogP (Chemaxon):3.55

Name Annotations

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Descriptor Annotations

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