Chemical ID: 5742414

Cc1ccc2c(cc(=O)oc2c1)COC(=O)c3cccc(c3Cl)Cl
Chemical ID:
5742414
Name [?]:
(7-methyl-2-oxo-chromen-4-yl)methyl 2,3-dichlorobenzoate
SMILES [?]:
Cc1ccc2c(cc(=O)oc2c1)COC(=O)c3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C18H12Cl2O4/c1-10-5-6-12-11(8-16(21)24-15(12)7-10)9-23-18(22)13-3-2-4-14(19)17(13)20/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,3,4,12,7,13,2,6,5,17,21,11,8,22,15,24,23,9,16,14,10/rA:24nCCCCCCCCOOCCCOCOCCCCCCClCl/rB:s1;s2;d3;s4;s5;d6;s7;d8;s8;d5s10;d2s11;s6;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12Cl2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.5149
Area:545.787
Solvation:-3.1298
Coulombic:-40.1481
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:363.191
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.02
LogP (Chemaxon):4.94

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Descriptor Annotations

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