Ethanone, 2-chloro-1-(3,4-dihydroxyphenyl)-


Chemical Name: Ethanone, 2-chloro-1-(3,4-dihydroxyphenyl)-
CAS Number: 99-40-1
Product Number: AG0036QY(AGN-PC-0JL7FE)
Synonyms:
MDL No:
Molecular Formula: C8H7ClO3
Molecular Weight: 186.5924

Identification/Properties


Properties
MP:
174-176 °C(lit.)
BP:
418.7 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Solubility:
Soluble in DMSO, methanol.
Computed Properties
Molecular Weight:
186.591g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
186.008g/mol
Monoisotopic Mass:
186.008g/mol
Topological Polar Surface Area:
57.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
172
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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