Chemical ID: 7470294

Cc1cc(ccc1OCC(=O)Oc2ccccc2C=O)Cl
Chemical ID:
7470294
Name [?]:
(2-formylphenyl) 2-(4-chloro-2-methyl-phenoxy)acetate
SMILES [?]:
Cc1cc(ccc1OCC(=O)Oc2ccccc2C=O)Cl
InChi [?]:
InChI=1/C16H13ClO4/c1-11-8-13(17)6-7-14(11)20-10-16(19)21-15-5-3-2-4-12(15)9-18/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,5,6,3,19,9,2,18,4,7,13,10,21,20,11,8,12/rA:21nCCCCCCCOCCOOCCCCCCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13ClO4
All Atoms:34
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.6674
Area:508.69
Solvation:-4.04985
Coulombic:-35.4992
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:304.725
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.48
LogP (Chemaxon):3.71

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