Home Boronic acids 3-Methoxycarbonyl-5-nitrophenylboronic acid, pinacol ester

3-Methoxycarbonyl-5-nitrophenylboronic acid, pinacol ester

CAS No.:
957061-12-0
Catalog Number:
AG003JNI
Molecular Formula:
C14H18BNO6
Molecular Weight:
307.1068
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003JNI
Chemical Name:
3-Methoxycarbonyl-5-nitrophenylboronic acid, pinacol ester
CAS Number:
957061-12-0
Molecular Formula:
C14H18BNO6
Molecular Weight:
307.1068
MDL Number:
MFCD09258774
IUPAC Name:
methyl 3-nitro-5-(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)10-6-9(12(17)20-5)7-11(8-10)16(18)19/h6-8H,1-5H3
InChI Key:
KSHZAKDFKZEZJQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)[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