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Chemical ID: 7242138
Chemical ID:
7242138
Name [?]:
2-[4-[(4-chlorophenoxy)methyl]phenoxy]propanoic acid
SMILES [?]:
CC(C(=O)O)Oc1ccc(cc1)COc2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H15ClO4/c1-11(16(18)19)21-15-6-2-12(3-7-15)10-20-14-8-4-13(17)5-9-14/h2-9,11H,10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,9,11,17,19,8,12,16,20,13,2,10,18,15,7,3,21,4,5,14,6/E:(2,3)(4,5)(6,7)(8,9)(18,19)/rA:21cCCCOOOCCCCCCCOCCCCCCCl/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClO4 |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.3595 |
Area: | 520.479 |
Solvation: | -4.65246 |
Coulombic: | -44.2326 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.09 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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