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Home > Nitro Compounds > 20940-09-4
20940-09-4 | Ethanone, 2-[(2-nitrophenyl)thio]-1-phenyl-
CAS No: 20940-09-4 Catalog No: AG002K86 MDL No:
Product Description
Catalog Number:
AG002K86
Chemical Name:
Ethanone, 2-[(2-nitrophenyl)thio]-1-phenyl-
CAS Number:
20940-09-4
Molecular Formula:
C14H11NO3S
Molecular Weight:
273.3070
IUPAC Name:
2-(2-nitrophenyl)sulfanyl-1-phenylethanone
InChI:
InChI=1S/C14H11NO3S/c16-13(11-6-2-1-3-7-11)10-19-14-9-5-4-8-12(14)15(17)18/h1-9H,10H2
InChI Key:
WGTPNGJGENUDBI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CSc1ccccc1[N+](=O)[O-]
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.306g/mol
Monoisotopic Mass:
273.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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