Chemical ID: 4898934

c1cc(c(c(c1)Cl)C=C2C(=O)c3ccc(cc3O2)OC(=O)C4CC4)Cl
Chemical ID:
4898934
Name [?]:
[2-[(2,6-dichlorophenyl)methylene]-3-oxo-benzofuran-6-yl] cyclopropanecarboxylate
SMILES [?]:
c1cc(c(c(c1)Cl)C=C2C(=O)c3ccc(cc3O2)OC(=O)C4CC4)Cl
InChi [?]:
InChI=1/C19H12Cl2O4/c20-14-2-1-3-15(21)13(14)9-17-18(22)12-7-6-11(8-16(12)25-17)24-19(23)10-4-5-10/h1-3,6-10H,4-5H2
InChi Info:
AuxInfo=1/0/N:1,2,6,23,24,14,13,16,8,22,15,12,4,3,5,17,9,10,20,25,7,11,21,19,18/E:(2,3)(4,5)(14,15)(20,21)/rA:25nCCCCCCClCCCOCCCCCCOOCOCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s9s17;s15;s19;d20;s20;s22;s22s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H12Cl2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.1426
Area:553.818
Solvation:-2.70287
Coulombic:-36.9986
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:375.202
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.87
LogP (Chemaxon):4.55

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Descriptor Annotations

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