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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)-

Propanoic acid, 3-(4-bromophenoxy)-

OC(=O)CCOc1ccc(cc1)Br Request for Quotation
Chemical Name: Propanoic acid, 3-(4-bromophenoxy)-
CAS Number: 93670-18-9
Product Number: AG00H078(AGN-PC-0LZS8D)
Synonyms:
MDL No: MFCD02295727
Molecular Formula: C9H9BrO3
Molecular Weight: 245.0700

Identification/Properties

Computed Properties
Molecular Weight:
245.072g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
243.974g/mol
Monoisotopic Mass:
243.974g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
164
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-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-(4-Bromophenoxy)propanoic acid is a versatile compound widely used in chemical synthesis due to its unique properties and reactivity. In organic chemistry, this compound serves as a valuable building block for synthesizing various pharmaceuticals, agrochemicals, and other biologically active molecules. Its bromine and phenyl moieties provide opportunities for selective functionalization, allowing chemists to introduce specific functionalities at precise positions within a molecule. Additionally, the propanoic acid group can participate in various synthetic transformations such as esterification, amidation, and decarboxylation, enabling the creation of structurally diverse compounds. Overall, 3-(4-Bromophenoxy)propanoic acid plays a crucial role in the design and synthesis of novel molecules with potential applications in medicinal chemistry, materials science, and other fields.