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Home > Nitro Compounds > 845266-22-0
845266-22-0 | Ethanone,1-[5-[(2-hydroxyethyl)thio]-4-nitro-2-thienyl]-
CAS No: 845266-22-0 Catalog No: AG0053WY MDL No:MFCD00098110
Product Description
Catalog Number:
AG0053WY
Chemical Name:
Ethanone,1-[5-[(2-hydroxyethyl)thio]-4-nitro-2-thienyl]-
CAS Number:
845266-22-0
Molecular Formula:
C8H9NO4S2
Molecular Weight:
247.2914
MDL Number:
MFCD00098110
IUPAC Name:
1-[5-(2-hydroxyethylsulfanyl)-4-nitrothiophen-2-yl]ethanone
InChI:
InChI=1S/C8H9NO4S2/c1-5(11)7-4-6(9(12)13)8(15-7)14-3-2-10/h4,10H,2-3H2,1H3
InChI Key:
FMJZSKDZSDSXRG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(sc1SCCO)C(=O)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.997g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.283g/mol
Monoisotopic Mass:
246.997g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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