1,3-Benzoxazole-5-boronic acid pinacol ester

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Catalog Number
ACM936902124-1
Product Name
1,3-Benzoxazole-5-boronic acid pinacol ester
Structure
Structure
CAS
936902-12-4
Category
Other
IUPAC Name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
Molecular Weight
245.08g/mol
Molecular Formula
C13H16BNO3
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC=N3
InChI
InChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)9-5-6-11-10(7-9)15-8-16-11/h5-8H,1-4H3
InChI Key
CHLWHHUKKHNQTH-UHFFFAOYSA-N
Complexity
318
Covalently-Bonded Unit Count
1
Exact Mass
245.122323g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
0
Heavy Atom Count
18
Monoisotopic Mass
245.122323g/mol
Rotatable Bond Count
1
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