Chemical ID: 6882326

CCOCCOC(=O)COc1ccc2c(c1)oc(c(c2=O)c3ccccc3Cl)C(F)(F)F
Chemical ID:
6882326
Name [?]:
2-ethoxyethyl 2-[3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate
SMILES [?]:
CCOCCOC(=O)COc1ccc2c(c1)oc(c(c2=O)c3ccccc3Cl)C(F)(F)F
InChi [?]:
InChI=1/C22H18ClF3O6/c1-2-29-9-10-30-18(27)12-31-13-7-8-15-17(11-13)32-21(22(24,25)26)19(20(15)28)14-5-3-4-6-16(14)23/h3-8,11H,2,9-10,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,24,25,23,26,12,13,4,5,16,9,11,22,14,27,15,7,19,20,18,29,28,30,31,32,8,21,3,6,10,17/E:(24,25,26)/rA:32nCCOCCOCOCOCCCCCCOCCCOCCCCCCClCFFF/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;d18;s14s19;d20;s19;s22;d23;s24;d25;d22s26;s27;s18;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18ClF3O6
All Atoms:50
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:9.64539
Area:666.846
Solvation:-7.02577
Coulombic:-69.9838
Bond Count [?]
All:34
Single:25
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:470.823
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.95
LogP (Chemaxon):4.52

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Descriptor Annotations

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