Chemical ID: 7048623

c1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4Cl)F
Chemical ID:
7048623
Name [?]:
2-benzylidene-6-[(2-chloro-4-fluoro-phenyl)methoxy]benzofuran-3-one
SMILES [?]:
c1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4Cl)F
InChi [?]:
InChI=1/C22H14ClFO3/c23-19-11-16(24)7-6-15(19)13-26-17-8-9-18-20(12-17)27-21(22(18)25)10-14-4-2-1-3-5-14/h1-12H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,21,22,13,12,7,24,15,19,4,20,23,14,11,25,16,8,9,26,27,10,18,17/E:(2,3)(4,5)/rA:27nCCCCCCCCCOCCCCCCOOCCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;s14;s18;s19;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H14ClFO3
All Atoms:41
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.8879
Area:586.991
Solvation:-3.78681
Coulombic:-31.5624
Bond Count [?]
All:30
Single:19
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:380.796
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.04
LogP (Chemaxon):5.51

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