Chemical ID: 6607032

CCc1ccc(cc1)C(=O)OCc2c(cccc2Cl)Cl
Chemical ID:
6607032
Name [?]:
(2,6-dichlorophenyl)methyl 4-ethylbenzoate
SMILES [?]:
CCc1ccc(cc1)C(=O)OCc2c(cccc2Cl)Cl
InChi [?]:
InChI=1/C16H14Cl2O2/c1-2-11-6-8-12(9-7-11)16(19)20-10-13-14(17)4-3-5-15(13)18/h3-9H,2,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,15,17,4,8,5,7,12,3,6,13,14,18,9,20,19,10,11/E:(4,5)(6,7)(8,9)(14,15)(17,18)/rA:20nCCCCCCCCCOOCCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14Cl2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:11.2125
Area:511.05
Solvation:-1.56381
Coulombic:-23.8808
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:309.187
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.81
LogP (Chemaxon):5.27

Name Annotations

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Descriptor Annotations

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