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Home > Nitro Compounds > 162848-25-1
162848-25-1 | Benzoic acid, 3-nitro-4-(1H-pyrazol-1-yl)-
CAS No: 162848-25-1 Catalog No: AG001TH6 MDL No:MFCD00141982
Product Description
Catalog Number:
AG001TH6
Chemical Name:
Benzoic acid, 3-nitro-4-(1H-pyrazol-1-yl)-
CAS Number:
162848-25-1
Molecular Formula:
C10H7N3O4
Molecular Weight:
233.1803
MDL Number:
MFCD00141982
IUPAC Name:
3-nitro-4-pyrazol-1-ylbenzoic acid
InChI:
InChI=1S/C10H7N3O4/c14-10(15)7-2-3-8(9(6-7)13(16)17)12-5-1-4-11-12/h1-6H,(H,14,15)
InChI Key:
YPKLOOQBMQJXKS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1n1cccn1)C(=O)O
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.044g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.183g/mol
Monoisotopic Mass:
233.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Assay principle for modulators of protein-protein interactions and its application to non-ATP-competitive ligands targeting protein kinase A. | Analytical chemistry 20061215 |
| 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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