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175205-19-3 | Thiophene, 4-bromo-2-(2-nitro-1-propen-1-yl)-
CAS No: 175205-19-3 Catalog No: AG0020OI MDL No:
Product Description
Catalog Number:
AG0020OI
Chemical Name:
Thiophene, 4-bromo-2-(2-nitro-1-propen-1-yl)-
CAS Number:
175205-19-3
Molecular Formula:
C7H6BrNO2S
Molecular Weight:
248.0970
IUPAC Name:
4-bromo-2-(2-nitroprop-1-enyl)thiophene
InChI:
InChI=1S/C7H6BrNO2S/c1-5(9(10)11)2-7-3-6(8)4-12-7/h2-4H,1H3
InChI Key:
DEFWRSIMNNRSKK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(=Cc1cc(cs1)Br)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.93g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.094g/mol
Monoisotopic Mass:
246.93g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| In vitro activity of thienyl-2-nitropropene compounds against Trypanosoma cruzi. | Memorias do Instituto Oswaldo Cruz 20091101 |
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