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Chemical ID: 7122764
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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