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Chemical ID: 4260108
Chemical ID:
4260108
Name [?]:
1-(3,5-dichloro-2-hydroxy-phenyl)ethanone
SMILES [?]:
CC(=O)c1cc(cc(c1O)Cl)Cl
InChi [?]:
InChI=1/C8H6Cl2O2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,2,6,4,8,9,12,11,3,10/rA:12nCCOCCCCCCOClCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s8;s6;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H6Cl2O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.63901 |
Area: | 354.551 |
Solvation: | -3.22476 |
Coulombic: | -22.6502 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 205.037 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.13 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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