Chemical ID: 5781117

CC(C)(C)C(=O)Oc1ccc(cc1)C(=O)C=Cc2cccc(c2)Cl
Chemical ID:
5781117
Name [?]:
[4-[3-(3-chlorophenyl)prop-2-enoyl]phenyl] 2,2-dimethylpropanoate
SMILES [?]:
CC(C)(C)C(=O)Oc1ccc(cc1)C(=O)C=Cc2cccc(c2)Cl
InChi [?]:
InChI=1/C20H19ClO3/c1-20(2,3)19(23)24-17-10-8-15(9-11-17)18(22)12-7-14-5-4-6-16(21)13-14/h4-13H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,20,19,21,17,10,12,9,13,16,23,18,11,22,8,14,5,2,24,15,6,7/E:(1,2,3)(8,9)(10,11)/rA:24nCCCCCOOCCCCCCCOCCCCCCCCCl/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.1935
Area:563.934
Solvation:-2.90483
Coulombic:-29.8759
Bond Count [?]
All:25
Single:16
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:342.816
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.0
LogP (Chemaxon):5.89

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