Chemical ID: 7467723

CC(C)(C)c1ccc(c(c1)C(C)(C)C)OC(=O)COc2ccc(cc2Br)Cl
Chemical ID:
7467723
Name [?]:
(2,4-ditert-butylphenyl) 2-(2-bromo-4-chloro-phenoxy)acetate
SMILES [?]:
CC(C)(C)c1ccc(c(c1)C(C)(C)C)OC(=O)COc2ccc(cc2Br)Cl
InChi [?]:
InChI=1/C22H26BrClO3/c1-21(2,3)14-7-9-18(16(11-14)22(4,5)6)27-20(25)13-26-19-10-8-15(24)12-17(19)23/h7-12H,13H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,13,14,6,22,7,21,10,24,18,5,23,9,25,8,20,16,2,11,26,27,17,19,15/E:(1,2,3)(4,5,6)/rA:27nCCCCCCCCCCCCCCOCOCOCCCCCCBrCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s11;s11;s11;s8;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26BrClO3
All Atoms:53
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.6777
Area:632.12
Solvation:-3.12527
Coulombic:-30.083
Bond Count [?]
All:28
Single:21
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:453.797
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:7.78
LogP (Chemaxon):7.61

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