9H-Thioxanthen-9-one, 2-chloro-


Chemical Name: 9H-Thioxanthen-9-one, 2-chloro-
CAS Number: 86-39-5
Product Number: AG008GDJ(AGN-PC-0JTW9R)
Synonyms:
MDL No:
Molecular Formula: C13H7ClOS
Molecular Weight: 246.7121

Identification/Properties


Computed Properties
Molecular Weight:
246.708g/mol
XLogP3:
4.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
245.991g/mol
Monoisotopic Mass:
245.991g/mol
Topological Polar Surface Area:
42.4A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
294
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:
Danger
UN#:
1325
Hazard Statements:
H228
Precautionary Statements:
P210
Class:
4.1
Packing Group:

NMR Spectrum


Other Analytical Data


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