Chemical ID: 7027287

c1ccc(cc1)c2c(=O)c3ccc(cc3oc2C(F)(F)F)OC(=O)CCCCl
Chemical ID:
7027287
Name [?]:
[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl] 4-chlorobutanoate
SMILES [?]:
c1ccc(cc1)c2c(=O)c3ccc(cc3oc2C(F)(F)F)OC(=O)CCCCl
InChi [?]:
InChI=1/C20H14ClF3O4/c21-10-4-7-16(25)27-13-8-9-14-15(11-13)28-19(20(22,23)24)17(18(14)26)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,26,3,5,25,12,11,27,14,4,13,10,15,23,7,8,17,18,28,19,20,21,24,9,22,16/E:(2,3)(5,6)(22,23,24)/rA:28nCCCCCCCCOCCCCCCOCCFFFOCOCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;d7s16;s17;s18;s18;s18;s13;s22;d23;s23;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14ClF3O4
All Atoms:42
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.6477
Area:590.442
Solvation:-4.11335
Coulombic:-54.3462
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:410.771
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.21
LogP (Chemaxon):5.03

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Descriptor Annotations

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