Chemical ID: 4405398

Cc1c(c2cc(c(cc2o1)Br)OCc3cccc(c3)OC)C(=O)OCCOC
Chemical ID:
4405398
Name [?]:
2-methoxyethyl 6-bromo-5-[(3-methoxyphenyl)methoxy]-2-methyl-benzofuran-3-carboxylate
SMILES [?]:
Cc1c(c2cc(c(cc2o1)Br)OCc3cccc(c3)OC)C(=O)OCCOC
InChi [?]:
InChI=1/C21H21BrO6/c1-13-20(21(23)26-8-7-24-2)16-10-19(17(22)11-18(16)28-13)27-12-14-5-4-6-15(9-14)25-3/h4-6,9-11H,7-8,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,21,16,15,17,26,25,19,5,8,13,2,14,18,4,7,9,6,3,22,11,23,27,20,24,12,10/rA:28nCCCCCCCCCOBrOCCCCCCCOCCOOCCOC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s7;s6;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s3;d22;s22;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21BrO6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.18268
Area:651.044
Solvation:-7.09341
Coulombic:-48.4802
Bond Count [?]
All:30
Single:22
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:449.292
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.3
LogP (Chemaxon):4.09

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