Home Boronic acids 4-Methyl-1,4-benzoxazin-3-one-6-boronic acid, pinacol ester

4-Methyl-1,4-benzoxazin-3-one-6-boronic acid, pinacol ester

CAS No.:
1218790-29-4
Catalog Number:
AG00168Y
Molecular Formula:
C15H20BNO4
Molecular Weight:
289.1346
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$313
- +
1g
98%
In Stock USA
United States
$688
- +
Product Description
Catalog Number:
AG00168Y
Chemical Name:
4-Methyl-1,4-benzoxazin-3-one-6-boronic acid, pinacol ester
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
Properties