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Home > Boronic Acids > 5868-56-4
5868-56-4 | 3-(4-Bromophenyl)isoxazol-5-ylboronic acid
CAS No: 5868-56-4 Catalog No: AG00IAFF MDL No:
Product Description
Catalog Number:
AG00IAFF
Chemical Name:
3-(4-Bromophenyl)isoxazol-5-ylboronic acid
CAS Number:
5868-56-4
IUPAC Name:
[3-(4-bromophenyl)-1,2-oxazol-5-yl]boronic acid
InChI:
InChI=1S/C9H7BBrNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-5,13-14H
InChI Key:
ZAHLQNLIAGFDJL-UHFFFAOYSA-N
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.97g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.873g/mol
Monoisotopic Mass:
266.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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