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Home > Boronic Acids > 1016641-53-4
1016641-53-4 | 2(3H)-Benzoxazolone, 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1016641-53-4 Catalog No: AG00053X MDL No:MFCD19689521
Product Description
Catalog Number:
AG00053X
Chemical Name:
2(3H)-Benzoxazolone, 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1016641-53-4
Molecular Formula:
C14H18BNO4
Molecular Weight:
275.1080
MDL Number:
MFCD19689521
IUPAC Name:
3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C14H18BNO4/c1-13(2)14(3,4)20-15(19-13)9-6-7-10-11(8-9)18-12(17)16(10)5/h6-8H,1-5H3
InChI Key:
RRKZAEQTNGEFPO-UHFFFAOYSA-N
SMILES:
Cn1c(=O)oc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
409
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:
0
Isotope Atom Count:
0
Molecular Weight:
275.111g/mol
Monoisotopic Mass:
275.133g/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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