Chemical ID: 4260108

CC(=O)c1cc(cc(c1O)Cl)Cl
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

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Descriptor Annotations

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