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Home > Boronic Acids > 1219130-57-0
1219130-57-0 | 2H-1,4-Benzoxazin-3(4H)-one, 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1219130-57-0 Catalog No: AG0016ED MDL No:MFCD12755792
Product Description
Catalog Number:
AG0016ED
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1219130-57-0
Molecular Formula:
C14H18BNO4
Molecular Weight:
275.1080
MDL Number:
MFCD12755792
IUPAC Name:
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C14H18BNO4/c1-13(2)14(3,4)20-15(19-13)9-5-6-10-11(7-9)18-8-12(17)16-10/h5-7H,8H2,1-4H3,(H,16,17)
InChI Key:
SUGHRPQPOYIUBL-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)ccc(c2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.133g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.111g/mol
Monoisotopic Mass:
275.133g/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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