3-Isoxazolecarboxylic acid, 5-(4-bromophenyl)-


Chemical Name: 3-Isoxazolecarboxylic acid, 5-(4-bromophenyl)-
CAS Number: 33282-23-4
Product Number: AG003M59(AGN-PC-0KKU4C)
Synonyms:
MDL No: MFCD06245167
Molecular Formula: C10H6BrNO3
Molecular Weight: 268.0635

Identification/Properties


Properties
MP:
200℃ (dec.)
BP:
478.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
268.066g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
266.953g/mol
Monoisotopic Mass:
266.953g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
241
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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