Home Boronic acids 4-Methylamino-3-nitrophenylboronic acid, pinacol ester

4-Methylamino-3-nitrophenylboronic acid, pinacol ester

CAS No.:
956821-93-5
Catalog Number:
AG00H8LB
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
- +
10g
98%
In Stock USA
United States
$1600
- +
Product Description
Catalog Number:
AG00H8LB
Chemical Name:
4-Methylamino-3-nitrophenylboronic acid, pinacol ester
CAS Number:
956821-93-5
Molecular Formula:
C13H19BN2O4
Molecular Weight:
278.1120
MDL Number:
MFCD12026089
IUPAC Name:
N-methyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C13H19BN2O4/c1-12(2)13(3,4)20-14(19-12)9-6-7-10(15-5)11(8-9)16(17)18/h6-8,15H,1-5H3
InChI Key:
XTOIYOHQFNGBRM-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
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:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties