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

4-N-Butylamino-3-nitrophenylboronic acid, pinacol ester

CAS No.:
1218791-22-0
Catalog Number:
AG009IPQ
Molecular Formula:
C16H25BN2O4
Molecular Weight:
320.1917
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
10g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG009IPQ
Chemical Name:
4-N-Butylamino-3-nitrophenylboronic acid, pinacol ester
CAS Number:
1218791-22-0
Molecular Formula:
C16H25BN2O4
Molecular Weight:
320.1917
MDL Number:
MFCD12913979
IUPAC Name:
N-butyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C16H25BN2O4/c1-6-7-10-18-13-9-8-12(11-14(13)19(20)21)17-22-15(2,3)16(4,5)23-17/h8-9,11,18H,6-7,10H2,1-5H3
InChI Key:
UVKYLDTXFMBULW-UHFFFAOYSA-N
SMILES:
CCCCNc1ccc(cc1[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
409  
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:
5  
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties