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Home > Nitro Compounds > 92289-98-0
92289-98-0 | 3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole
CAS No: 92289-98-0 Catalog No: AG01AQ28 MDL No:MFCD01470728
Product Description
Catalog Number:
AG01AQ28
Chemical Name:
3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole
CAS Number:
92289-98-0
Molecular Formula:
C11H11N3O2S
Molecular Weight:
249.2889
MDL Number:
MFCD01470728
IUPAC Name:
3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-1H-pyrazole
InChI:
InChI=1S/C11H11N3O2S/c1-7-11(8(2)13-12-7)17-10-6-4-3-5-9(10)14(15)16/h3-6H,1-2H3,(H,12,13)
InChI Key:
BHFNSUJWUNYOFK-UHFFFAOYSA-N
SMILES:
Cc1[nH]nc(c1Sc1ccccc1[N+](=O)[O-])C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.288g/mol
Monoisotopic Mass:
249.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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