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Chemical ID: 7048362
Chemical ID:
7048362
Name [?]:
2-benzylidene-6-[(2,4-dichlorophenyl)methoxy]benzofuran-3-one
SMILES [?]:
c1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C22H14Cl2O3/c23-16-7-6-15(19(24)11-16)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:1,2,6,3,5,21,22,13,12,7,24,15,19,4,20,23,14,11,25,16,8,9,27,26,10,18,17/E:(2,3)(4,5)/rA:27nCCCCCCCCCOCCCCCCOOCCCCCCCClCl/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: | C22H14Cl2O3 |
All Atoms: | 41 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4412 |
Area: | 615.784 |
Solvation: | -2.95344 |
Coulombic: | -28.8779 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 397.25 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.5 |
LogP (Chemaxon): | 5.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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