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Chemical ID: 6879774
Chemical ID:
6879774
Name [?]:
[2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl] 5-bromofuran-2-carboxylate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4ccc(o4)Br
InChi [?]:
InChI=1/C19H11BrO6/c1-10-4-5-12-11(9-10)16(21)18(17(25-12)13-3-2-8-23-13)26-19(22)14-6-7-15(20)24-14/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,3,4,22,23,16,7,2,6,5,13,21,24,8,11,10,19,26,9,20,17,25,12,18/rA:26nCCCCCCCCOCCOCCCCOOCOCCCCOBr/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;d19;s19;d21;s22;d23;s21s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H11BrO6 |
All Atoms: | 37 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.70133 |
Area: | 547.176 |
Solvation: | -3.97807 |
Coulombic: | -53.4177 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 415.191 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.1 |
LogP (Chemaxon): | 3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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