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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)-

3-bromo-4-methyl-5-nitro-benzoic acid

[O-][N+](=O)c1cc(cc(c1C)Br)C(=O)O Request for Quotation
Chemical Name: 3-bromo-4-methyl-5-nitro-benzoic acid
CAS Number: 34545-20-5
Product Number: AG00CIXR(AGN-PC-0WA887)
Synonyms:
MDL No:
Molecular Formula: C8H6BrNO4
Molecular Weight: 260.0415

Identification/Properties

Computed Properties
Molecular Weight:
260.043g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
258.948g/mol
Monoisotopic Mass:
258.948g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
252
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


3-Bromo-4-methyl-5-nitrobenzoic acid is a versatile compound commonly used in chemical synthesis for various applications. It serves as a key intermediate in the preparation of specialized organic molecules, particularly in the pharmaceutical and agrochemical industries. Due to its structural characteristics, 3-Bromo-4-methyl-5-nitrobenzoic acid can be utilized in the synthesis of complex structures and functional groups that are crucial in the development of new drugs, pesticides, and other biologically active compounds. Its reactive functional groups enable the introduction of important building blocks during chemical reactions, allowing for the creation of diverse molecular architectures with specific properties and activities. This compound plays a vital role in the design and production of advanced materials and compounds with tailored functionalities for various industrial and research applications.