Isoxazole, 3-(4-bromophenyl)-


Chemical Name: Isoxazole, 3-(4-bromophenyl)-
CAS Number: 13484-04-3
Product Number: AG0037TW(AGN-PC-0NJQYF)
Synonyms:
MDL No:
Molecular Formula: C9H6BrNO
Molecular Weight: 224.0540

Identification/Properties


Computed Properties
Molecular Weight:
224.057g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
222.963g/mol
Monoisotopic Mass:
222.963g/mol
Topological Polar Surface Area:
26A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
146
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

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NMR Spectrum


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