Chemical ID: 6875856

CCc1ccccc1Oc2coc3cc(ccc3c2=O)OCc4ccc(cc4)Br
Chemical ID:
6875856
Name [?]:
7-[(4-bromophenyl)methoxy]-3-(2-ethylphenoxy)-chromen-4-one
SMILES [?]:
CCc1ccccc1Oc2coc3cc(ccc3c2=O)OCc4ccc(cc4)Br
InChi [?]:
InChI=1/C24H19BrO4/c1-2-17-5-3-4-6-21(17)29-23-15-28-22-13-19(11-12-20(22)24(23)26)27-14-16-7-9-18(25)10-8-16/h3-13,15H,2,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,6,4,7,24,28,25,27,16,17,14,22,11,23,3,26,15,18,8,13,10,19,29,20,21,12,9/E:(7,8)(9,10)/rA:29nCCCCCCCCOCCOCCCCCCCOOCCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;d19;s15;s21;s22;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:11.4788
Area:625.192
Solvation:-4.15098
Coulombic:-34.6489
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:451.309
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.6
LogP (Chemaxon):6.78

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