Home Boronic acids 4-(N-t-Butylamino)-3-nitrophenylboronic acid, pinacol ester

4-(N-t-Butylamino)-3-nitrophenylboronic acid, pinacol ester

CAS No.:
1218791-23-1
Catalog Number:
AG0016AP
Molecular Formula:
C16H25BN2O4
Molecular Weight:
320.1917
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$200
- +
5g
98%
In Stock USA
United States
$600
- +
10g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG0016AP
Chemical Name:
4-(N-t-Butylamino)-3-nitrophenylboronic acid, pinacol ester
CAS Number:
1218791-23-1
Molecular Formula:
C16H25BN2O4
Molecular Weight:
320.1917
MDL Number:
MFCD21848380
IUPAC Name:
N-tert-butyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C16H25BN2O4/c1-14(2,3)18-12-9-8-11(10-13(12)19(20)21)17-22-15(4,5)16(6,7)23-17/h8-10,18H,1-7H3
InChI Key:
JGGKCJSMOIHHHW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1NC(C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
440  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.191g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
320.196g/mol
Monoisotopic Mass:
320.191g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties