Chemical ID: 7040208

Cc1ccc(cc1)C(=O)C=Cc2ccc(c(c2)OC)OC(=O)c3ccc(cc3)Br
Chemical ID:
7040208
Name [?]:
[2-methoxy-4-[3-oxo-3-(p-tolyl)prop-1-enyl]-phenyl] 4-bromobenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)C=Cc2ccc(c(c2)OC)OC(=O)c3ccc(cc3)Br
InChi [?]:
InChI=1/C24H19BrO4/c1-16-3-7-18(8-4-16)21(26)13-5-17-6-14-22(23(15-17)28-2)29-24(27)19-9-11-20(25)12-10-19/h3-15H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,3,7,11,13,4,6,24,28,25,27,10,14,17,2,12,5,23,26,8,15,16,21,29,9,22,18,20/E:(3,4)(7,8)(9,10)(11,12)/rA:29nCCCCCCCCOCCCCCCCCOCOCOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19BrO4
All Atoms:48
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.2424
Area:651.27
Solvation:-4.03932
Coulombic:-39.3326
Bond Count [?]
All:31
Single:19
Double:12
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:451.309
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.23
LogP (Chemaxon):6.25

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