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Home > Boronic Acids > 943994-02-3
943994-02-3 | 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);-2H-benzo[b][1,4]oxazin-3(4H);-one
CAS No: 943994-02-3 Catalog No: AG00H7KT MDL No:MFCD12755796
Product Description
Catalog Number:
AG00H7KT
Chemical Name:
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);-2H-benzo[b][1,4]oxazin-3(4H);-one
CAS Number:
943994-02-3
Molecular Formula:
C14H18BNO4
Molecular Weight:
275.1080
MDL Number:
MFCD12755796
IUPAC Name:
6-(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)9-5-6-11-10(7-9)16-12(17)8-18-11/h5-7H,8H2,1-4H3,(H,16,17)
InChI Key:
ZXOSNHPLTJAXSA-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cc(cc2)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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