Chemical ID: 5726198

COc1ccc2c(cc(=O)oc2c1)COC(=O)c3ccc(cc3)Cl
Chemical ID:
5726198
Name [?]:
(7-methoxy-2-oxo-chromen-4-yl)methyl 4-chlorobenzoate
SMILES [?]:
COc1ccc2c(cc(=O)oc2c1)COC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H13ClO5/c1-22-14-6-7-15-12(8-17(20)24-16(15)9-14)10-23-18(21)11-2-4-13(19)5-3-11/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,23,20,22,4,5,8,13,14,18,7,21,3,6,12,9,16,24,10,17,2,15,11/E:(2,3)(4,5)/rA:24nCOCCCCCCCOOCCCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s9;d6s11;d3s12;s7;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13ClO5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.43824
Area:549.721
Solvation:-4.30479
Coulombic:-46.704
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:344.746
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.88
LogP (Chemaxon):3.7

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