3-[(4-methylphenyl)sulfanyl]-1-(3-nitrophenyl)-1-propanone


Chemical Name: 3-[(4-methylphenyl)sulfanyl]-1-(3-nitrophenyl)-1-propanone
CAS Number: 20618-56-8
Product Number: AG00ISWT(AGN-PC-0WB0GV)
Synonyms:
MDL No: MFCD03932063
Molecular Formula: C16H15NO3S
Molecular Weight: 301.3602

Identification/Properties


Computed Properties
Molecular Weight:
301.4g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
301.077265g/mol
Monoisotopic Mass:
301.077265g/mol
Topological Polar Surface Area:
88.2Ų
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
361
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


NMR Spectrum


Other Analytical Data


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