Chemical ID: 7384052

CC(=O)COc1ccc2c(c1)OC(=Cc3ccc(cc3)Cl)C2=O
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

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Descriptor Annotations

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