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Home > Boronic Acids > 862126-44-1
862126-44-1 | 3-Bromo-isoxazole-5-boronic acid pinacol ester
CAS No: 862126-44-1 Catalog No: AG00H326 MDL No:MFCD12913758
Product Description
Catalog Number:
AG00H326
Chemical Name:
3-Bromo-isoxazole-5-boronic acid pinacol ester
CAS Number:
862126-44-1
MDL Number:
MFCD12913758
IUPAC Name:
(3-bromo-1,2-oxazol-5-yl)-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid
InChI:
InChI=1S/C9H15BBrNO4/c1-8(2,13)9(3,4)16-10(14)6-5-7(11)12-15-6/h5,13-14H,1-4H3
InChI Key:
PNDPVHVBHWOAFC-UHFFFAOYSA-N
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.936g/mol
Monoisotopic Mass:
291.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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