Home Boronic acids 4-(Methoxycarbonyl)-3-nitrophenylboronic acid, pinacol ester

4-(Methoxycarbonyl)-3-nitrophenylboronic acid, pinacol ester

CAS No.:
1402238-34-9
Catalog Number:
AG001C64
Molecular Formula:
C14H18BNO6
Molecular Weight:
307.1068
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$150
- +
5g
97%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG001C64
Chemical Name:
4-(Methoxycarbonyl)-3-nitrophenylboronic acid, pinacol ester
CAS Number:
1402238-34-9
Molecular Formula:
C14H18BNO6
Molecular Weight:
307.1068
MDL Number:
MFCD16996357
IUPAC Name:
methyl 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C14H18BNO6/c1-13(2)14(3,4)22-15(21-13)9-6-7-10(12(17)20-5)11(8-9)16(18)19/h6-8H,1-5H3
InChI Key:
YXJOPYXGQATVOC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
445  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.123g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.109g/mol
Monoisotopic Mass:
307.123g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties