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Chemical ID: 7384052
Chemical ID:
7384052
Name [?]:
6-acetonyloxy-2-[(4-chlorophenyl)methylene]benzofuran-3-one
SMILES [?]:
CC(=O)COc1ccc2c(c1)OC(=Cc3ccc(cc3)Cl)C2=O
InChi [?]:
InChI=1/C18H13ClO4/c1-11(20)10-22-14-6-7-15-16(9-14)23-17(18(15)21)8-12-2-4-13(19)5-3-12/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,20,17,19,7,8,14,11,4,2,15,18,6,9,10,13,22,21,3,23,5,12/E:(2,3)(4,5)/rA:23nCCOCOCCCCCCOCCCCCCCCClCO/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s9s13;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13ClO4 |
All Atoms: | 36 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.17576 |
Area: | 541.98 |
Solvation: | -5.37374 |
Coulombic: | -31.6764 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 328.746 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.82 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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