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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)-

Benzoic acid, 2-fluoro-5-nitro-, methyl ester

COC(=O)c1cc(ccc1F)[N+](=O)[O-] Request for Quotation
Chemical Name: Benzoic acid, 2-fluoro-5-nitro-, methyl ester
CAS Number: 2965-22-2
Product Number: AG002Z0A(AGN-PC-004LCA)
Synonyms:
MDL No:
Molecular Formula: C8H6FNO4
Molecular Weight: 199.1359

Identification/Properties

Computed Properties
Molecular Weight:
199.137g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
199.028g/mol
Monoisotopic Mass:
199.028g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
240
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


Methyl 2-fluoro-5-nitrobenzenecarboxylate is a versatile compound widely used in chemical synthesis for the introduction of a fluorine atom into organic molecules. This compound serves as a valuable building block in the pharmaceutical and agrochemical industries, aiding in the development of new compounds with enhanced biological activity. Its unique chemical properties make it an essential reagent for preparing complex molecules with fluorine substitution, which can significantly improve the physicochemical and pharmacological properties of the final products. By incorporating Methyl 2-fluoro-5-nitrobenzenecarboxylate into synthetic routes, chemists can access a diverse array of fluorinated compounds for various applications, ranging from drug discovery to materials science.