Chemical ID: 7048356

COC(=O)c1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4Cl)Cl
Chemical ID:
7048356
Name [?]:
methyl 4-[[6-[(2,4-dichlorophenyl)methoxy]-3-oxo-benzofuran-2-ylidene]methyl]benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C24H16Cl2O5/c1-29-24(28)15-4-2-14(3-5-15)10-22-23(27)19-9-8-18(12-21(19)31-22)30-13-16-6-7-17(25)11-20(16)26/h2-12H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,9,6,10,25,26,17,16,11,28,19,23,8,5,24,27,18,15,29,20,12,13,3,31,30,14,4,2,22,21/E:(2,3)(4,5)/rA:31nCOCOCCCCCCCCCOCCCCCCOOCCCCCCCClCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s12s20;s18;s22;s23;s24;d25;s26;d27;d24s28;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H16Cl2O5
All Atoms:47
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.5061
Area:695.211
Solvation:-3.87417
Coulombic:-47.8221
Bond Count [?]
All:34
Single:22
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:455.286
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.44
LogP (Chemaxon):5.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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