Chemical ID: 4901820

c1cc(ccc1C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4Cl)Cl)F
Chemical ID:
4901820
Name [?]:
6-[(2,4-dichlorophenyl)methoxy]-2-[(4-fluorophenyl)methylene]benzofuran-3-one
SMILES [?]:
c1cc(ccc1C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4Cl)Cl)F
InChi [?]:
InChI=1/C22H13Cl2FO3/c23-15-4-3-14(19(24)10-15)12-27-17-7-8-18-20(11-17)28-21(22(18)26)9-13-1-5-16(25)6-2-13/h1-11H,12H2
InChi Info:
AuxInfo=1/0/N:1,5,21,22,2,4,13,12,7,24,15,19,6,20,23,3,14,11,25,16,8,9,27,26,28,10,18,17/E:(1,2)(5,6)/rA:28nCCCCCCCCCOCCCCCCOOCCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;s14;s18;s19;s20;d21;s22;d23;d20s24;s25;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H13Cl2FO3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.4558
Area:611.687
Solvation:-3.83637
Coulombic:-31.6712
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:415.241
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.66
LogP (Chemaxon):6.03

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