Chemical ID: 7122764

Cc1cc(ccc1Cl)OCc2cc(ccc2OC)C(=O)[O-]
Chemical ID:
7122764
Name [?]:
3-[(4-chloro-3-methyl-phenoxy)methyl]-4-methoxy-benzoate
SMILES [?]:
Cc1cc(ccc1Cl)OCc2cc(ccc2OC)C(=O)[O-]
InChi [?]:
InChI=1/C16H15ClO4/c1-10-7-13(4-5-14(10)17)21-9-12-8-11(16(18)19)3-6-15(12)20-2/h3-8H,9H2,1-2H3,(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,18,14,5,6,15,3,12,10,2,13,11,4,7,16,19,8,20,21,17,9/E:(18,19)/rA:21nCCCCCCCClOCCCCCCCOCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s13;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14ClO4-
All Atoms:35
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-32.1927
Area:505.002
Solvation:-44.8177
Coulombic:-17.3389
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:305.733
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.54
LogP (Chemaxon):3.82

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