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Home > Boronic Acids > 1491157-36-8
1491157-36-8 | 7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one
CAS No: 1491157-36-8 Catalog No: AG01C7MV MDL No:MFCD19982653
Product Description
Catalog Number:
AG01C7MV
Chemical Name:
7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one
CAS Number:
1491157-36-8
Molecular Formula:
C15H20BNO4
Molecular Weight:
289.1346
MDL Number:
MFCD19982653
IUPAC Name:
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
InChI:
InChI=1S/C15H20BNO4/c1-14(2)15(3,4)21-16(20-14)10-5-6-12-11(9-10)13(18)17-7-8-19-12/h5-6,9H,7-8H2,1-4H3,(H,17,18)
InChI Key:
CVYNLHFCEWPZOD-UHFFFAOYSA-N
SMILES:
O=C1NCCOc2c1cc(cc2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.149g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.138g/mol
Monoisotopic Mass:
289.149g/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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