Cas no 885-34-7 (2,1-benzisoxazole, 5-bromo-3-phenyl-)

5-Bromo-3-phenyl-2,1-benzisoxazole is a heterocyclic compound featuring a benzisoxazole core substituted with a bromine atom at the 5-position and a phenyl group at the 3-position. This structure imparts unique electronic and steric properties, making it a valuable intermediate in organic synthesis and pharmaceutical research. The bromine substituent enhances reactivity for further functionalization via cross-coupling reactions, while the phenyl group contributes to stability and potential π-π interactions. Its well-defined molecular framework is advantageous for applications in medicinal chemistry, particularly in the development of bioactive molecules. The compound’s purity and consistent performance make it suitable for rigorous synthetic workflows.

2,1-benzisoxazole, 5-bromo-3-phenyl- structure

885-34-7 structure

Product Name:2,1-benzisoxazole, 5-bromo-3-phenyl-

CAS No:885-34-7

MF:C₁₃H₈BrNO

MW:274.112722396851

CID:993210

PubChem ID:347290

Update Time:2025-06-08

2,1-benzisoxazole, 5-bromo-3-phenyl- Chemical and Physical Properties

Names and Identifiers

- 2,1-benzisoxazole, 5-bromo-3-phenyl-
- 5-bromo-3-phenyl-2,1-Benzisoxazole
- 5-bromo-3-phenyl-2,1-benzoxazole
- AIDS-130347
- NSC 405895
- A19267
- TimTec1_001909
- SCHEMBL4019162
- AKOS002837803
- AB01325829-02
- BRD-K38376446-001-01-5
- SR-01000420889-1
- DTXSID10237082
- 5-BROMO-3-PHENYLANTHRANIL
- NSC405895
- FT-0758150
- CS-0322114
- UNII-292AUJ3WRQ
- 885-34-7
- 5-bromo-3-phenyl-benzo[c]isooxazole
- NSC-405895
- NCGC00332733-01
- 3-Phenyl-5-bromo-2,1-benzisoxazole
- HMS1539G17
- SR-01000420889
- 5-bromo-3-phenylbenzo[c]isoxazole
- 292AUJ3WRQ
- STK699958
- G74006
- DB-077875
- Inchi： 1S/C13H8BrNO/c14-10-6-7-12-11(8-10)13(16-15-12)9-4-2-1-3-5-9/h1-8H
- InChI Key： HKEVIXPPTCEYEW-UHFFFAOYSA-N
- SMILES： BrC1C=CC2C(C=1)=C(C1C=CC=CC=1)ON=2

Computed Properties

Exact Mass: 272.97893g/mol
Monoisotopic Mass: 272.97893g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 16
Rotatable Bond Count: 1
Complexity: 242
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 4.1
Topological Polar Surface Area: 26?2

2,1-benzisoxazole, 5-bromo-3-phenyl- Pricemore >>

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