Chemical ID: 5498795

c1cc(cc(c1)F)C=CC(=O)c2ccc(c(c2Cl)Cl)Cl
Chemical ID:
5498795
Name [?]:
3-(3-fluorophenyl)-1-(2,3,4-trichlorophenyl)-prop-2-en-1-one
SMILES [?]:
c1cc(cc(c1)F)C=CC(=O)c2ccc(c(c2Cl)Cl)Cl
InChi [?]:
InChI=1/C15H8Cl3FO/c16-12-6-5-11(14(17)15(12)18)13(20)7-4-9-2-1-3-10(19)8-9/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,6,8,13,14,9,4,3,5,12,15,10,17,16,20,18,19,7,11/rA:20nCCCCCCFCCCOCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H8Cl3FO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.48317
Area:472.22
Solvation:-3.32233
Coulombic:-13.9116
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:329.58
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.88
LogP (Chemaxon):5.71

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