Chemical ID: 4267609

CC(C)(c1ccc(cc1)OC(=O)c2ccccc2Cl)c3ccc(cc3)OC(=O)c4ccccc4Cl
Chemical ID:
4267609
Name [?]:
[4-[1-[4-(2-chlorobenzoyl)oxyphenyl]-1-methyl-ethyl]phenyl] 2-chlorobenzoate
SMILES [?]:
CC(C)(c1ccc(cc1)OC(=O)c2ccccc2Cl)c3ccc(cc3)OC(=O)c4ccccc4Cl
InChi [?]:
InChI=1/C29H22Cl2O4/c1-29(2,19-11-15-21(16-12-19)34-27(32)23-7-3-5-9-25(23)30)20-13-17-22(18-14-20)35-28(33)24-8-4-6-10-26(24)31/h3-18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,15,31,16,32,14,30,17,33,5,9,21,25,6,8,22,24,4,20,7,23,13,29,18,34,11,27,2,19,35,12,28,10,26/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12,13,14)(15,16,17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(30,31)(32,33)(34,35)/rA:35nCCCCCCCCCOCOCCCCCCClCCCCCCOCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s2;s20;d21;s22;d23;d20s24;s23;s26;d27;s27;s29;d30;s31;d32;d29s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H22Cl2O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:15.5929
Area:746.27
Solvation:-3.06384
Coulombic:-44.6181
Bond Count [?]
All:38
Single:24
Double:14
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:505.388
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:9.58
LogP (Chemaxon):8.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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