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Home > Boronic Acids > 1629585-32-5
1629585-32-5 | 2-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CAS No: 1629585-32-5 Catalog No: AG01DVSF MDL No:MFCD28901439
Product Description
Catalog Number:
AG01DVSF
Chemical Name:
2-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CAS Number:
1629585-32-5
Molecular Formula:
C15H20BNO4
Molecular Weight:
289.1346
MDL Number:
MFCD28901439
IUPAC Name:
2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C15H20BNO4/c1-9-13(18)17-11-8-10(6-7-12(11)19-9)16-20-14(2,3)15(4,5)21-16/h6-9H,1-5H3,(H,17,18)
InChI Key:
NCJQRPLCUOATGN-UHFFFAOYSA-N
SMILES:
O=C1Nc2cc(ccc2OC1C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
423
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:
1
Undefined Bond Stereocenter Count:
0
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