Chemical ID: 7154960

CCOc1cccc(c1OCc2ccc(cc2Cl)Cl)C(=O)O
Chemical ID:
7154960
Name [?]:
2-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-benzoic acid
SMILES [?]:
CCOc1cccc(c1OCc2ccc(cc2Cl)Cl)C(=O)O
InChi [?]:
InChI=1/C16H14Cl2O4/c1-2-21-14-5-3-4-12(16(19)20)15(14)22-9-10-6-7-11(17)8-13(10)18/h3-8H,2,9H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,5,13,14,16,11,12,15,8,17,4,9,20,19,18,21,22,3,10/E:(19,20)/rA:22nCCOCCCCCCOCCCCCCCClClCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s8;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14Cl2O4
All Atoms:36
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.19194
Area:532.58
Solvation:-4.12255
Coulombic:-44.5359
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:341.185
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.58
LogP (Chemaxon):4.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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