Chemical ID: 7196718

COC(=O)c1ccnn1COc2ccc(cc2)Cl
Chemical ID:
7196718
Name [?]:
methyl 2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxylate
SMILES [?]:
COC(=O)c1ccnn1COc2ccc(cc2)Cl
InChi [?]:
InChI=1/C12H11ClN2O3/c1-17-12(16)11-6-7-14-15(11)8-18-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,16,13,17,6,7,10,15,12,5,3,18,8,9,4,2,11/E:(2,3)(4,5)/rA:18nCOCOCCCNNCOCCCCCCCl/rB:s1;s2;d3;s3;d5;s6;d7;s5s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11ClN2O3
All Atoms:29
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.39493
Area:448.739
Solvation:-3.82356
Coulombic:-32.5821
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:266.68
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.03
LogP (Chemaxon):2.13

Name Annotations

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Descriptor Annotations

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