Chemical ID: 7048411

Cc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4c(cccc4Cl)F
Chemical ID:
7048411
Name [?]:
6-[(2-chloro-6-fluoro-phenyl)methoxy]-2-(p-tolylmethylene)benzofuran-3-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4c(cccc4Cl)F
InChi [?]:
InChI=1/C23H16ClFO3/c1-14-5-7-15(8-6-14)11-22-23(26)17-10-9-16(12-21(17)28-22)27-13-18-19(24)3-2-4-20(18)25/h2-12H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,25,23,3,7,4,6,14,13,8,16,20,2,5,15,12,21,26,22,17,9,10,27,28,11,19,18/E:(5,6)(7,8)/rA:28nCCCCCCCCCCOCCCCCCOOCCCCCCCClF/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s9s17;s15;s19;s20;s21;d22;s23;d24;d21s25;s26;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H16ClFO3
All Atoms:44
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.9482
Area:601.166
Solvation:-4.08098
Coulombic:-31.1737
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:394.822
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.48
LogP (Chemaxon):5.98

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