Chemical ID: 5269711

c1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc(cc3Cl)Cl
Chemical ID:
5269711
Name [?]:
[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl] benzoate
SMILES [?]:
c1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C22H14Cl2O3/c23-18-10-6-15(20(24)14-18)9-13-21(25)16-7-11-19(12-8-16)27-22(26)17-4-2-1-3-5-17/h1-14H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,21,12,14,19,22,11,15,18,24,20,13,4,23,10,25,16,7,27,26,17,8,9/E:(2,3)(4,5)(7,8)(11,12)/rA:27nCCCCCCCOOCCCCCCCOCCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;w18;s19;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H14Cl2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.6514
Area:615.664
Solvation:-2.74021
Coulombic:-32.4948
Bond Count [?]
All:29
Single:17
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:397.25
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.59
LogP (Chemaxon):6.28

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