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Home > Nitro Compounds > 74257-00-4
74257-00-4 | 1-(Mesitylsulfonyl)-3-nitro-1H-1,2,4-triazole
CAS No: 74257-00-4 Catalog No: AG003D3G MDL No:MFCD00009754
Product Description
Catalog Number:
AG003D3G
Chemical Name:
1-(Mesitylsulfonyl)-3-nitro-1H-1,2,4-triazole
CAS Number:
74257-00-4
Molecular Formula:
C11H12N4O4S
Molecular Weight:
296.3024
MDL Number:
MFCD00009754
IUPAC Name:
3-nitro-1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole
InChI:
InChI=1S/C11H12N4O4S/c1-7-4-8(2)10(9(3)5-7)20(18,19)14-6-12-11(13-14)15(16)17/h4-6H,1-3H3
InChI Key:
SFYDWLYPIXHPML-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1S(=O)(=O)n1cnc(n1)[N+](=O)[O-])C
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.301g/mol
Monoisotopic Mass:
296.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| 2'-Azido RNA, a versatile tool for chemical biology: synthesis, X-ray structure, siRNA applications, click labeling. | ACS chemical biology 20120316 |
| Chemical synthesis of site-specifically 2'-azido-modified RNA and potential applications for bioconjugation and RNA interference. | Chembiochem : a European journal of chemical biology 20110103 |
| Exploration of the one-bead one-compound methodology for the design of prolyl oligopeptidase substrates. | PloS one 20090101 |
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