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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-amino-4-chloro-5-fluoro-, methyl ester

COC(=O)c1cc(F)c(cc1N)Cl Request for Quotation
Chemical Name: Benzoic acid, 2-amino-4-chloro-5-fluoro-, methyl ester
CAS Number: 104901-79-3
Product Number: AG0092EZ(AGN-PC-00NM3H)
Synonyms:
MDL No:
Molecular Formula: C8H7ClFNO2
Molecular Weight: 203.5981

Identification/Properties

Computed Properties
Molecular Weight:
203.597g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
203.015g/mol
Monoisotopic Mass:
203.015g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
203
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-amino-4-chloro-5-fluorobenzoate is a versatile compound widely used in chemical synthesis, particularly in the pharmaceutical industry. Its strategic positioning of functional groups makes it a valuable building block for the synthesis of various biologically active molecules. With its unique combination of amino, chloro, and fluoro substituents, this compound offers significant synthetic flexibility and can participate in a variety of reactions to yield diverse products. In organic chemistry, it serves as a key intermediate in the preparation of compounds with potential pharmacological activities. By reacting with other reagents or undergoing functional group transformations, Methyl 2-amino-4-chloro-5-fluorobenzoate plays a crucial role in the construction of complex molecular structures, paving the way for the synthesis of novel drugs and pharmaceuticals.