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Chemical ID: 5293707
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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