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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, 3-bromo-2-fluoro-, methyl ester

COC(=O)c1cccc(c1F)Br Request for Quotation
Chemical Name: Benzoic acid, 3-bromo-2-fluoro-, methyl ester
CAS Number: 206551-41-9
Product Number: AG002IJO(AGN-PC-03DGA1)
Synonyms:
MDL No: MFCD09261255
Molecular Formula: C8H6BrFO2
Molecular Weight: 233.0344

Identification/Properties

Properties
MP:
35-37℃
BP:
255.4°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
233.036g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
231.954g/mol
Monoisotopic Mass:
231.954g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
174
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 3-Bromo-2-fluorobenzoate is a versatile compound widely used in chemical synthesis as a key building block for the preparation of various pharmaceuticals and agrochemicals. Its unique structure allows it to participate in a range of important reactions, such as nucleophilic substitutions and cross-coupling reactions. In organic synthesis, this compound serves as a valuable intermediate for the synthesis of complex molecules with diverse biological activities. Additionally, Methyl 3-Bromo-2-fluorobenzoate plays a crucial role in medicinal chemistry research due to its potential to be incorporated into drug candidates with improved pharmacological properties.