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Home > Boronic Acids > 1218790-29-4
1218790-29-4 | 2H-1,4-Benzoxazin-3(4H)-one, 4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1218790-29-4 Catalog No: AG00168Y MDL No:MFCD15143610
Product Description
Catalog Number:
AG00168Y
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1218790-29-4
Molecular Formula:
C15H20BNO4
Molecular Weight:
289.1346
MDL Number:
MFCD15143610
IUPAC Name:
4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-benzoxazin-3-one
InChI:
InChI=1S/C15H20BNO4/c1-14(2)15(3,4)21-16(20-14)10-6-7-12-11(8-10)17(5)13(18)9-19-12/h6-8H,9H2,1-5H3
InChI Key:
ZBZAZWWQFQFIAN-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1C)cc(cc2)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:
0
Isotope Atom Count:
0
Molecular Weight:
289.138g/mol
Monoisotopic Mass:
289.149g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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