Chemical ID: 4701421

c1cc(c(c(c1)Cl)C=CC(=O)c2ccc(cc2)F)F
Chemical ID:
4701421
Name [?]:
3-(2-chloro-6-fluoro-phenyl)-1-(4-fluorophenyl)-prop-2-en-1-one
SMILES [?]:
c1cc(c(c(c1)Cl)C=CC(=O)c2ccc(cc2)F)F
InChi [?]:
InChI=1/C15H9ClF2O/c16-13-2-1-3-14(18)12(13)8-9-15(19)10-4-6-11(17)7-5-10/h1-9H
InChi Info:
AuxInfo=1/0/N:1,6,2,13,17,14,16,8,9,12,15,4,5,3,10,7,18,19,11/E:(4,5)(6,7)/rA:19nCCCCCCClCCCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;s4;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9ClF2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.27384
Area:428.962
Solvation:-3.45022
Coulombic:-18.3178
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:278.681
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.79
LogP (Chemaxon):4.81

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