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

4-Cyclopropylamino-3-nitrophenylboronic acid, pinacol ester

CAS No.:
1218791-36-6
Catalog Number:
AG009IPK
Molecular Formula:
C15H21BN2O4
Molecular Weight:
304.1492
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$100
- +
5g
96%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG009IPK
Chemical Name:
4-Cyclopropylamino-3-nitrophenylboronic acid, pinacol ester
CAS Number:
1218791-36-6
Molecular Formula:
C15H21BN2O4
Molecular Weight:
304.1492
MDL Number:
MFCD12756468
IUPAC Name:
N-cyclopropyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C15H21BN2O4/c1-14(2)15(3,4)22-16(21-14)10-5-8-12(17-11-6-7-11)13(9-10)18(19)20/h5,8-9,11,17H,6-7H2,1-4H3
InChI Key:
NRIFOFRAGQPPBY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1NC1CC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
431  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.159g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
304.153g/mol
Monoisotopic Mass:
304.159g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties