Chemical ID: 7196690

c1ccc(c(c1)OCn2c(ccn2)C(=O)[O-])Cl
Chemical ID:
7196690
Name [?]:
2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylate
SMILES [?]:
c1ccc(c(c1)OCn2c(ccn2)C(=O)[O-])Cl
InChi [?]:
InChI=1/C11H9ClN2O3/c12-8-3-1-2-4-10(8)17-7-14-9(11(15)16)5-6-13-14/h1-6H,7H2,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:2,1,3,6,11,12,8,4,10,5,14,17,13,9,15,16,7/E:(15,16)/rA:17nCCCCCCOCNCCCNCOO-Cl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;s9d12;s10;d14;s14;s4;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8ClN2O3-
All Atoms:25
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-33.9564
Area:419.955
Solvation:-44.4553
Coulombic:-15.1022
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:251.646
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.23
LogP (Chemaxon):2.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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