Chemical ID: 6877839

CCCCOC(=O)COc1ccc2c(c1)occ(c2=O)c3ccc(cc3)Cl
Chemical ID:
6877839
Name [?]:
butyl 2-[3-(4-chlorophenyl)-4-oxo-chromen-7-yl]oxyacetate
SMILES [?]:
CCCCOC(=O)COc1ccc2c(c1)occ(c2=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H19ClO5/c1-2-3-10-25-20(23)13-26-16-8-9-17-19(11-16)27-12-18(21(17)24)14-4-6-15(22)7-5-14/h4-9,11-12H,2-3,10,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,22,26,23,25,11,12,4,15,17,8,21,24,10,13,18,14,6,19,27,7,20,5,9,16/E:(4,5)(6,7)/rA:27nCCCCOCOCOCCCCCCOCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;d17;s13s18;d19;s18;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19ClO5
All Atoms:46
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.9719
Area:631.805
Solvation:-4.82326
Coulombic:-44.2029
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:386.825
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.13
LogP (Chemaxon):4.9

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