Chemical ID: 4914896

c1cc(ccc1C(=O)CC2C(=C(C(=O)O2)Cl)Cl)Cl
Chemical ID:
4914896
Name [?]:
3,4-dichloro-5-[2-(4-chlorophenyl)-2-oxo-ethyl]-5H-furan-2-one
SMILES [?]:
c1cc(ccc1C(=O)CC2C(=C(C(=O)O2)Cl)Cl)Cl
InChi [?]:
InChI=1/C12H7Cl3O3/c13-7-3-1-6(2-4-7)8(16)5-9-10(14)11(15)12(17)18-9/h1-4,9H,5H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,9,6,3,7,10,11,12,13,18,17,16,8,14,15/E:(1,2)(3,4)/rA:18cCCCCCCCOCCCCCOOClClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;s10s13;s12;s11;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H7Cl3O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.10442
Area:480.419
Solvation:-3.90607
Coulombic:-26.6218
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:305.54
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.3
LogP (Chemaxon):2.3

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Descriptor Annotations

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