Chemical ID: 4914899

c1cc(c(cc1Cl)Cl)C(=O)CC2C(=C(C(=O)O2)Cl)Cl
Chemical ID:
4914899
Name [?]:
3,4-dichloro-5-[2-(2,4-dichlorophenyl)-2-oxo-ethyl]-5H-furan-2-one
SMILES [?]:
c1cc(c(cc1Cl)Cl)C(=O)CC2C(=C(C(=O)O2)Cl)Cl
InChi [?]:
InChI=1/C12H6Cl4O3/c13-5-1-2-6(7(14)3-5)8(17)4-9-10(15)11(16)12(18)19-9/h1-3,9H,4H2
InChi Info:
AuxInfo=1/0/N:1,2,5,11,6,3,4,9,12,13,14,15,7,8,19,18,10,16,17/rA:19cCCCCCCClClCOCCCCCOOClCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s9;s11;s12;d13;s14;d15;s12s15;s14;s13;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H6Cl4O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.19457
Area:502.347
Solvation:-4.3641
Coulombic:-25.7112
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:339.985
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.92
LogP (Chemaxon):2.81

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