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Home > Nitro Compounds > 882218-89-5
882218-89-5 | 4-(3,5-dimethyl-1H-pyrazol-1-yl)-3-nitrobenzene-1-sulfonamide
CAS No: 882218-89-5 Catalog No: AG019GUF MDL No:MFCD06327370
Product Description
Catalog Number:
AG019GUF
Chemical Name:
4-(3,5-dimethyl-1H-pyrazol-1-yl)-3-nitrobenzene-1-sulfonamide
CAS Number:
882218-89-5
Molecular Formula:
C11H12N4O4S
Molecular Weight:
296.3024
MDL Number:
MFCD06327370
IUPAC Name:
4-(3,5-dimethylpyrazol-1-yl)-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C11H12N4O4S/c1-7-5-8(2)14(13-7)10-4-3-9(20(12,18)19)6-11(10)15(16)17/h3-6H,1-2H3,(H2,12,18,19)
InChI Key:
GGDDDOAXRPZXTE-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)N
Properties
Complexity:
472
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:
1
Isotope Atom Count:
0
Molecular Weight:
296.301g/mol
Monoisotopic Mass:
296.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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