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Home > Boronic Acids > 1254319-58-8
1254319-58-8 | 2-oxo-2,3-dihydrobenzo[d]oxazol-5-ylboronic acid pinacol ester
CAS No: 1254319-58-8 Catalog No: AG009Y1C MDL No:MFCD13182074
Product Description
Catalog Number:
AG009Y1C
Chemical Name:
2-oxo-2,3-dihydrobenzo[d]oxazol-5-ylboronic acid pinacol ester
CAS Number:
1254319-58-8
Molecular Formula:
C13H16BNO4
Molecular Weight:
261.0814
MDL Number:
MFCD13182074
IUPAC Name:
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C13H16BNO4/c1-12(2)13(3,4)19-14(18-12)8-5-6-10-9(7-8)15-11(16)17-10/h5-7H,1-4H3,(H,15,16)
InChI Key:
GWJADTWONUXMTN-UHFFFAOYSA-N
SMILES:
O=c1oc2c([nH]1)cc(cc2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.117g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.084g/mol
Monoisotopic Mass:
261.117g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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