200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 861207-36-5
861207-36-5 | 4-(2-hydroxyethyl)-1-(4-methoxy-2-nitrobenzenesulfonyl)-5-methyl-2,3-dihydro-1H-pyrazol-3-one
CAS No: 861207-36-5 Catalog No: AG00IXPX MDL No:MFCD04124780
Product Description
Catalog Number:
AG00IXPX
Chemical Name:
4-(2-hydroxyethyl)-1-(4-methoxy-2-nitrobenzenesulfonyl)-5-methyl-2,3-dihydro-1H-pyrazol-3-one
CAS Number:
861207-36-5
Molecular Formula:
C13H15N3O7S
Molecular Weight:
357.3391
MDL Number:
MFCD04124780
IUPAC Name:
4-(2-hydroxyethyl)-2-(4-methoxy-2-nitrophenyl)sulfonyl-3-methyl-1H-pyrazol-5-one
InChI:
InChI=1S/C13H15N3O7S/c1-8-10(5-6-17)13(18)14-15(8)24(21,22)12-4-3-9(23-2)7-11(12)16(19)20/h3-4,7,17H,5-6H2,1-2H3,(H,14,18)
InChI Key:
GWQBQHMILIOQMO-UHFFFAOYSA-N
SMILES:
OCCc1c(=O)[nH]n(c1C)S(=O)(=O)c1ccc(cc1[N+](=O)[O-])OC
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.063g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
357.337g/mol
Monoisotopic Mass:
357.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.