Chemical ID: 7048416

c1ccc(c(c1)C=C2C(=O)c3ccc(cc3O2)OCc4c(cccc4Cl)F)F
Chemical ID:
7048416
Name [?]:
6-[(2-chloro-6-fluoro-phenyl)methoxy]-2-[(2-fluorophenyl)methylene]benzofuran-3-one
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)c3ccc(cc3O2)OCc4c(cccc4Cl)F)F
InChi [?]:
InChI=1/C22H13ClF2O3/c23-17-5-3-7-19(25)16(17)12-27-14-8-9-15-20(11-14)28-21(22(15)26)10-13-4-1-2-6-18(13)24/h1-11H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,23,6,24,3,22,13,12,7,15,19,5,14,11,20,25,4,21,16,8,9,26,28,27,10,18,17/rA:28nCCCCCCCCCOCCCCCCOOCCCCCCCClFF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;s14;s18;s19;s20;d21;s22;d23;d20s24;s25;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H13ClF2O3
All Atoms:41
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.0951
Area:590.423
Solvation:-4.66545
Coulombic:-34.8574
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:398.786
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.2
LogP (Chemaxon):5.65

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