Chemical ID: 7047767

CC(=O)Oc1ccc2c(c1)OC(=Cc3ccc(cc3)Cl)C2=O
Chemical ID:
7047767
Name [?]:
[2-[(4-chlorophenyl)methylene]-3-oxo-benzofuran-6-yl] acetate
SMILES [?]:
CC(=O)Oc1ccc2c(c1)OC(=Cc3ccc(cc3)Cl)C2=O
InChi [?]:
InChI=1/C17H11ClO4/c1-10(19)21-13-6-7-14-15(9-13)22-16(17(14)20)8-11-2-4-12(18)5-3-11/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,19,16,18,6,7,13,10,2,14,17,5,8,9,12,21,20,3,22,4,11/E:(2,3)(4,5)/rA:22nCCOOCCCCCCOCCCCCCCCClCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s8s12;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11ClO4
All Atoms:33
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.0297
Area:515.256
Solvation:-2.85165
Coulombic:-36.0746
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:314.72
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.04
LogP (Chemaxon):3.35

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Descriptor Annotations

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