Chemical ID: 7196440

Cc1cc(cc(c1Cl)C)OCn2ccc(n2)C(=O)OC
Chemical ID:
7196440
Name [?]:
methyl 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxylate
SMILES [?]:
Cc1cc(cc(c1Cl)C)OCn2ccc(n2)C(=O)OC
InChi [?]:
InChI=1/C14H15ClN2O3/c1-9-6-11(7-10(2)13(9)15)20-8-17-5-4-12(16-17)14(18)19-3/h4-7H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,20,14,13,3,5,11,2,6,4,15,7,17,8,16,12,18,19,10/E:(1,2)(6,7)(9,10)/rA:20nCCCCCCCClCOCNCCCNCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;s12;d13;s14;s12d15;s15;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15ClN2O3
All Atoms:35
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.23219
Area:497.101
Solvation:-3.19534
Coulombic:-33.6529
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:294.733
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.39
LogP (Chemaxon):3.7

Name Annotations

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Descriptor Annotations

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