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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-2-nitro-5-pyrazol-1-ylbenzoic acid

OC(=O)c1cc(c(cc1[N+](=O)[O-])F)n1cccn1 Request for Quotation
Chemical Name: 4-fluoro-2-nitro-5-pyrazol-1-ylbenzoic acid
CAS Number: 1186663-21-7
Product Number: AG003LEP(AGN-PC-09T3Y1)
Synonyms:
MDL No: MFCD11656824
Molecular Formula: C10H6FN3O4
Molecular Weight: 251.1707

Identification/Properties

Computed Properties
Molecular Weight:
251.173g/mol
XLogP3:
1.3
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-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Fluoro-5-(1-pyrazolyl)-2-nitrobenzoic Acid is a versatile compound that finds significant application in chemical synthesis processes. As a key reagent in organic chemistry, this compound plays a crucial role in the development of pharmaceuticals, agrochemicals, and various other fine chemicals. Its unique structure allows for precise manipulation of molecular arrangements, making it an essential building block in the creation of novel compounds with diverse functionalities. Specifically, in chemical synthesis, 4-Fluoro-5-(1-pyrazolyl)-2-nitrobenzoic Acid serves as a valuable intermediate in the preparation of complex molecules by facilitating key reactions such as acylation, amidation, and nitration. Its presence enables chemists to introduce specific functionalities at strategic positions within a molecular scaffold, leading to the synthesis of targeted compounds with enhanced properties. Additionally, the incorporation of 4-Fluoro-5-(1-pyrazolyl)-2-nitrobenzoic Acid in reaction sequences allows for the modification of biochemical pathways and the exploration of new chemical space, paving the way for the development of potential drug candidates and innovative materials.