Chemical ID: 7196264

c1cc(c(cc1Cl)Cl)OCn2ccc(n2)C(=O)[O-]
Chemical ID:
7196264
Name [?]:
1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxylate
SMILES [?]:
c1cc(c(cc1Cl)Cl)OCn2ccc(n2)C(=O)[O-]
InChi [?]:
InChI=1/C11H8Cl2N2O3/c12-7-1-2-10(8(13)5-7)18-6-15-4-3-9(14-15)11(16)17/h1-5H,6H2,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,13,12,5,10,6,4,14,3,16,7,8,15,11,17,18,9/E:(16,17)/rA:18nCCCCCCClClOCNCCCNCOO-/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;d12;s13;s11d14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7Cl2N2O3-
All Atoms:25
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-33.4279
Area:467.763
Solvation:-45.1219
Coulombic:-14.8201
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:286.09
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.76
LogP (Chemaxon):3.26

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