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115505-05-0 | Ethanone, 2-(ethylthio)-1-(4-nitrophenyl)-
CAS No: 115505-05-0 Catalog No: AG000G38 MDL No:
Product Description
Catalog Number:
AG000G38
Chemical Name:
Ethanone, 2-(ethylthio)-1-(4-nitrophenyl)-
CAS Number:
115505-05-0
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
IUPAC Name:
2-ethylsulfanyl-1-(4-nitrophenyl)ethanone
InChI:
InChI=1S/C10H11NO3S/c1-2-15-7-10(12)8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H3
InChI Key:
IGXNTABRYODQHW-UHFFFAOYSA-N
SMILES:
CCSCC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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