Chemical ID: 5277457

CC(=O)Oc1ccc2c(c1)OC(=Cc3ccc(c(c3)Cl)Cl)C2=O
Chemical ID:
5277457
Name [?]:
[2-[(3,4-dichlorophenyl)methylene]-3-oxo-benzofuran-6-yl] acetate
SMILES [?]:
CC(=O)Oc1ccc2c(c1)OC(=Cc3ccc(c(c3)Cl)Cl)C2=O
InChi [?]:
InChI=1/C17H10Cl2O4/c1-9(20)22-11-3-4-12-15(8-11)23-16(17(12)21)7-10-2-5-13(18)14(19)6-10/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,6,7,16,19,13,10,2,14,5,8,17,18,9,12,22,21,20,3,23,4,11/rA:23nCCOOCCCCCCOCCCCCCCCClClCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s8s12;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10Cl2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.548
Area:537.274
Solvation:-2.88384
Coulombic:-36.1979
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:349.164
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.66
LogP (Chemaxon):3.87

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Descriptor Annotations

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