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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

4-fluoro-5-imidazol-1-yl-2-nitrobenzoic acid

OC(=O)c1cc(c(cc1[N+](=O)[O-])F)n1cncc1 Request for Quotation
Chemical Name: 4-fluoro-5-imidazol-1-yl-2-nitrobenzoic acid
CAS Number: 1141669-65-9
Product Number: AG000APN(AGN-PC-09T3Y0)
Synonyms:
MDL No: MFCD11656823
Molecular Formula: C10H6FN3O4
Molecular Weight: 251.1707

Identification/Properties

Properties
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
251.173g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
251.034g/mol
Monoisotopic Mass:
251.034g/mol
Topological Polar Surface Area:
101A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
349
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


Benzoic acid, 4-fluoro-5-(1H-imidazol-1-yl)-2-nitro-, is a versatile chemical compound widely utilized in chemical synthesis processes. This compound plays a crucial role in various reactions and transformations, especially in the pharmaceutical and agricultural industries. Its unique structure, combining a benzoic acid moiety with a fluoro-imidazole-nitro group, offers specific reactivity and selectivity in synthetic pathways.In organic synthesis, Benzoic acid, 4-fluoro-5-(1H-imidazol-1-yl)-2-nitro-, serves as a key building block for designing and creating novel molecules with desired biological activities. Its presence can enhance the potency, selectivity, or stability of pharmaceutical compounds by functioning as a pharmacophore or a reactive functional group. Furthermore, this compound can be used to introduce fluorine atoms into organic molecules, a valuable strategy in medicinal chemistry for enhancing drug-like properties.Additionally, Benzoic acid, 4-fluoro-5-(1H-imidazol-1-yl)-2-nitro-, is employed in the synthesis of agrochemicals, specifically in the development of new pesticides or herbicides. Its nitro and fluoro substituents contribute to the biocidal activity and specificity of these compounds, making them effective in controlling pests or weeds while minimizing environmental impact.Overall, the inclusion of Benzoic acid, 4-fluoro-5-(1H-imidazol-1-yl)-2-nitro-, in chemical synthesis processes enables the creation of diverse molecular entities with potential applications in pharmaceuticals, agrochemicals, and other industries requiring specialized molecules with specific properties.