Chemical ID: 7334717

Cc1ccc(c(c1C)OC(=O)c2cccc(c2)C(F)(F)F)C
Chemical ID:
7334717
Name [?]:
(2,3,6-trimethylphenyl) 3-(trifluoromethyl)benzoate
SMILES [?]:
Cc1ccc(c(c1C)OC(=O)c2cccc(c2)C(F)(F)F)C
InChi [?]:
InChI=1/C17H15F3O2/c1-10-7-8-11(2)15(12(10)3)22-16(21)13-5-4-6-14(9-13)17(18,19)20/h4-9H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,8,14,13,15,3,4,17,2,5,7,12,16,6,10,18,19,20,21,11,9/E:(18,19,20)/rA:22nCCCCCCCCOCOCCCCCCCFFFC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;s18;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15F3O2
All Atoms:37
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.66866
Area:476.326
Solvation:-2.2395
Coulombic:-40.2227
Bond Count [?]
All:23
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:308.295
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.34
LogP (Chemaxon):5.56

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