Chemical ID: 6843937

CCC(C)OC(=O)COc1ccc2c(c1)occ(c2=O)c3ccccc3Cl
Chemical ID:
6843937
Name [?]:
sec-butyl 2-[3-(2-chlorophenyl)-4-oxo-chromen-7-yl]oxyacetate
SMILES [?]:
CCC(C)OC(=O)COc1ccc2c(c1)occ(c2=O)c3ccccc3Cl
InChi [?]:
InChI=1/C21H19ClO5/c1-3-13(2)27-20(23)12-25-14-8-9-16-19(10-14)26-11-17(21(16)24)15-6-4-5-7-18(15)22/h4-11,13H,3,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,23,24,22,25,11,12,15,17,8,3,10,21,13,18,26,14,6,19,27,7,20,9,16,5/rA:27cCCCCOCOCOCCCCCCOCCCOCCCCCCCl/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;d17;s13s18;d19;s18;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19ClO5
All Atoms:46
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.4338
Area:608.234
Solvation:-4.77201
Coulombic:-44.0138
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:386.825
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.02
LogP (Chemaxon):4.92

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