Chemical ID: 5293707

CC(=O)c1cc(cc(c1OCc2ccccc2)Cl)Cl
Chemical ID:
5293707
Name [?]:
1-(2-benzyloxy-3,5-dichloro-phenyl)ethanone
SMILES [?]:
CC(=O)c1cc(cc(c1OCc2ccccc2)Cl)Cl
InChi [?]:
InChI=1/C15H12Cl2O2/c1-10(18)13-7-12(16)8-14(17)15(13)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,5,7,11,2,12,6,4,8,9,19,18,3,10/E:(3,4)(5,6)/rA:19nCCOCCCCCCOCCCCCCCClCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s8;s6;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12Cl2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.01182
Area:469.635
Solvation:-3.72905
Coulombic:-16.2102
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:295.16
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.73
LogP (Chemaxon):3.92

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Descriptor Annotations

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