Home Boronic acids 2-Bromomethyl-5-nitrophenylboronic acid, pinacol ester

2-Bromomethyl-5-nitrophenylboronic acid, pinacol ester

CAS No.:
2096333-96-7
Catalog Number:
AG01EHOR
Molecular Formula:
C13H17BBrNO4
Molecular Weight:
341.9934
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$188
- +
5g
96%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG01EHOR
Chemical Name:
2-Bromomethyl-5-nitrophenylboronic acid, pinacol ester
CAS Number:
2096333-96-7
Molecular Formula:
C13H17BBrNO4
Molecular Weight:
341.9934
MDL Number:
MFCD20231470
IUPAC Name:
2-[2-(bromomethyl)-5-nitrophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H17BBrNO4/c1-12(2)13(3,4)20-14(19-12)11-7-10(16(17)18)6-5-9(11)8-15/h5-7H,8H2,1-4H3
InChI Key:
QXAHEYUNZWPODZ-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Properties
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.043g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.996g/mol
Monoisotopic Mass:
341.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties