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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, 2,4-diamino-3-fluoro-5-nitro-, methyl ester

COC(=O)c1cc([N+](=O)[O-])c(c(c1N)F)N Request for Quotation
Chemical Name: Benzoic acid, 2,4-diamino-3-fluoro-5-nitro-, methyl ester
CAS Number: 918321-18-3
Product Number: AG00IGWF(AGN-PC-0CVYBK)
Synonyms:
MDL No:
Molecular Formula: C8H8FN3O4
Molecular Weight: 229.1652

Identification/Properties

Properties
BP:
470.5±45.0°C/760mmHg
Storage:
Light sensitive;Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
229.167g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
229.05g/mol
Monoisotopic Mass:
229.05g/mol
Topological Polar Surface Area:
124A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
296
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

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 2,4-diamino-3-fluoro-5-nitrobenzoate is commonly used in chemical synthesis as a versatile building block for the preparation of various compounds. Due to its unique structure, this compound serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals. It acts as a crucial precursor in the development of biologically active compounds with diverse applications in medicinal chemistry and drug discovery. Additionally, Methyl 2,4-diamino-3-fluoro-5-nitrobenzoate plays a significant role in the creation of complex molecules through multistep synthesis strategies, contributing to the advancement of organic chemistry research and innovation.