Chemical ID: 6968309

Cc1ccc(cc1)OC(=O)COc2ccc(cc2C)Cl
Chemical ID:
6968309
Name [?]:
p-tolyl 2-(4-chloro-2-methyl-phenoxy)acetate
SMILES [?]:
Cc1ccc(cc1)OC(=O)COc2ccc(cc2C)Cl
InChi [?]:
InChI=1/C16H15ClO3/c1-11-3-6-14(7-4-11)20-16(18)10-19-15-8-5-13(17)9-12(15)2/h3-9H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,3,7,15,4,6,14,17,11,2,18,16,5,13,9,20,10,12,8/E:(3,4)(6,7)/rA:20nCCCCCCCOCOCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15ClO3
All Atoms:35
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.22923
Area:501.412
Solvation:-3.30608
Coulombic:-28.1455
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:290.741
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.22
LogP (Chemaxon):4.5

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Descriptor Annotations

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