Chemical ID: 7242138

CC(C(=O)O)Oc1ccc(cc1)COc2ccc(cc2)Cl
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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