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Home > Nitro Compounds > 158745-58-5
158745-58-5 | Ethanone, 2-(2-nitro-3-thienyl)-1-phenyl-
CAS No: 158745-58-5 Catalog No: AG001QTE MDL No:
Product Description
Catalog Number:
AG001QTE
Chemical Name:
Ethanone, 2-(2-nitro-3-thienyl)-1-phenyl-
CAS Number:
158745-58-5
Molecular Formula:
C12H9NO3S
Molecular Weight:
247.2698
IUPAC Name:
2-(2-nitrothiophen-3-yl)-1-phenylethanone
InChI:
InChI=1S/C12H9NO3S/c14-11(9-4-2-1-3-5-9)8-10-6-7-17-12(10)13(15)16/h1-7H,8H2
InChI Key:
NEDJTRAQJFKDCP-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Cc1ccsc1[N+](=O)[O-]
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.268g/mol
Monoisotopic Mass:
247.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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