Chemical ID: 4767101

c1ccc(cc1)C(=O)CC2C(=C(C(=O)O2)Cl)Cl
Chemical ID:
4767101
Name [?]:
3,4-dichloro-5-phenacyl-5H-furan-2-one
SMILES [?]:
c1ccc(cc1)C(=O)CC2C(=C(C(=O)O2)Cl)Cl
InChi [?]:
InChI=1/C12H8Cl2O3/c13-10-9(17-12(16)11(10)14)6-8(15)7-4-2-1-3-5-7/h1-5,9H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,9,4,7,10,11,12,13,17,16,8,14,15/E:(2,3)(4,5)/rA:17cCCCCCCCOCCCCCOOClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;s10s13;s12;s11;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8Cl2O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.25853
Area:443.515
Solvation:-3.82934
Coulombic:-26.7459
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:271.096
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.68
LogP (Chemaxon):1.78

Name Annotations

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Descriptor Annotations

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