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

2-Aminomethyl-5-nitrophenylboronic acid, pinacol ester

CAS No.:
2096338-02-0
Catalog Number:
AG01EMXD
Molecular Formula:
C13H19BN2O4
Molecular Weight:
278.1120
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$300
- +
5g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG01EMXD
Chemical Name:
2-Aminomethyl-5-nitrophenylboronic acid, pinacol ester
CAS Number:
2096338-02-0
Molecular Formula:
C13H19BN2O4
Molecular Weight:
278.1120
MDL Number:
MFCD22205818
IUPAC Name:
[4-nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
InChI:
InChI=1S/C13H19BN2O4/c1-12(2)13(3,4)20-14(19-12)11-7-10(16(17)18)6-5-9(11)8-15/h5-7H,8,15H2,1-4H3
InChI Key:
TXNNDEKFTFJORQ-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Properties
Complexity:
367  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.144g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.115g/mol
Monoisotopic Mass:
278.144g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties