200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 5761-58-0
5761-58-0 | 2-(3-nitro-1H-pyrazol-1-yl)-1-phenylethan-1-one
CAS No: 5761-58-0 Catalog No: AG00JUZV MDL No:
Product Description
Catalog Number:
AG00JUZV
Chemical Name:
2-(3-nitro-1H-pyrazol-1-yl)-1-phenylethan-1-one
CAS Number:
5761-58-0
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
IUPAC Name:
2-(3-nitropyrazol-1-yl)-1-phenylethanone
InChI:
InChI=1S/C11H9N3O3/c15-10(9-4-2-1-3-5-9)8-13-7-6-11(12-13)14(16)17/h1-7H,8H2
InChI Key:
USTHVNSOBXSHJI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Cn1ccc(n1)[N+](=O)[O-]
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.