Chemical ID: 5289394

CC(=O)Oc1ccc2c(c1)oc(c(c2=O)c3ccc(cc3)Cl)C(F)(F)F
Chemical ID:
5289394
Name [?]:
[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] acetate
SMILES [?]:
CC(=O)Oc1ccc2c(c1)oc(c(c2=O)c3ccc(cc3)Cl)C(F)(F)F
InChi [?]:
InChI=1/C18H10ClF3O4/c1-9(23)25-12-6-7-13-14(8-12)26-17(18(20,21)22)15(16(13)24)10-2-4-11(19)5-3-10/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,21,18,20,6,7,10,2,16,19,5,8,9,13,14,12,23,22,24,25,26,3,15,4,11/E:(2,3)(4,5)(20,21,22)/rA:26nCCOOCCCCCCOCCCOCCCCCCClCFFF/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s8s13;d14;s13;s16;d17;s18;d19;d16s20;s19;s12;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H10ClF3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.65935
Area:534.998
Solvation:-3.7156
Coulombic:-53.5913
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:382.717
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.88
LogP (Chemaxon):4.52

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue