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87953-95-5 | Ethanone, 1-(3,5-dichloro-2,6-dihydroxyphenyl)-
CAS No: 87953-95-5 Catalog No: AG004D4N MDL No:
Product Description
Catalog Number:
AG004D4N
Chemical Name:
Ethanone, 1-(3,5-dichloro-2,6-dihydroxyphenyl)-
CAS Number:
87953-95-5
Molecular Formula:
C8H6Cl2O3
Molecular Weight:
221.0374
IUPAC Name:
1-(3,5-dichloro-2,6-dihydroxyphenyl)ethanone
InChI:
InChI=1S/C8H6Cl2O3/c1-3(11)6-7(12)4(9)2-5(10)8(6)13/h2,12-13H,1H3
InChI Key:
JPBMVUZFDSULAA-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(O)c(Cl)cc(c1O)Cl
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.033g/mol
Monoisotopic Mass:
219.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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