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Home > Nitro Compounds > 175137-44-7
175137-44-7 | Ethanone, 1-[3-nitro-4-(2-pyridinylthio)phenyl]-
CAS No: 175137-44-7 Catalog No: AG0020BR MDL No:MFCD00122613
Product Description
Catalog Number:
AG0020BR
Chemical Name:
Ethanone, 1-[3-nitro-4-(2-pyridinylthio)phenyl]-
CAS Number:
175137-44-7
Molecular Formula:
C13H10N2O3S
Molecular Weight:
274.2951
MDL Number:
MFCD00122613
IUPAC Name:
1-(3-nitro-4-pyridin-2-ylsulfanylphenyl)ethanone
InChI:
InChI=1S/C13H10N2O3S/c1-9(16)10-5-6-12(11(8-10)15(17)18)19-13-4-2-3-7-14-13/h2-8H,1H3
InChI Key:
FCOYEURPIOTRFX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Sc1ccccn1)C(=O)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.294g/mol
Monoisotopic Mass:
274.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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