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Home > Boronic Acids > 1105710-32-4
1105710-32-4 | 2-oxo-2,3-dihydrobenzo[d]oxazol-6-ylboronic acid pinacol ester
CAS No: 1105710-32-4 Catalog No: AG00955S MDL No:MFCD13182073
Product Description
Catalog Number:
AG00955S
Chemical Name:
2-oxo-2,3-dihydrobenzo[d]oxazol-6-ylboronic acid pinacol ester
CAS Number:
1105710-32-4
Molecular Formula:
C13H16BNO4
Molecular Weight:
261.0814
MDL Number:
MFCD13182073
IUPAC Name:
6-(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)8-5-6-9-10(7-8)17-11(16)15-9/h5-7H,1-4H3,(H,15,16)
InChI Key:
RVSGJKHNWXFXCD-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(o1)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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