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Home > Nitro Compounds > 926240-55-3
926240-55-3 | 3,5-dimethyl-1-[2-nitro-4-(pyrrolidine-1-sulfonyl)phenyl]-1H-pyrazole
CAS No: 926240-55-3 Catalog No: AG019HM1 MDL No:MFCD06326272
Product Description
Catalog Number:
AG019HM1
Chemical Name:
3,5-dimethyl-1-[2-nitro-4-(pyrrolidine-1-sulfonyl)phenyl]-1H-pyrazole
CAS Number:
926240-55-3
Molecular Formula:
C15H18N4O4S
Molecular Weight:
350.3928
MDL Number:
MFCD06326272
IUPAC Name:
3,5-dimethyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)pyrazole
InChI:
InChI=1S/C15H18N4O4S/c1-11-9-12(2)18(16-11)14-6-5-13(10-15(14)19(20)21)24(22,23)17-7-3-4-8-17/h5-6,9-10H,3-4,7-8H2,1-2H3
InChI Key:
CELRMDRRDPUSEC-UHFFFAOYSA-N
SMILES:
Cc1cc(n(n1)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)N1CCCC1)C
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.105g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.393g/mol
Monoisotopic Mass:
350.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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