Home Boronic acids 4-Isobutyl-3-nitrophenylboronic acid

4-Isobutyl-3-nitrophenylboronic acid

CAS No.:
850568-57-9
Catalog Number:
AG004SHX
Molecular Formula:
C10H14BNO4
Molecular Weight:
223.0335
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$171
- +
5g
98%
In Stock USA
United States
$657
- +
Product Description
Catalog Number:
AG004SHX
Chemical Name:
4-Isobutyl-3-nitrophenylboronic acid
CAS Number:
850568-57-9
Molecular Formula:
C10H14BNO4
Molecular Weight:
223.0335
MDL Number:
MFCD04115653
IUPAC Name:
[4-(2-methylpropyl)-3-nitrophenyl]boronic acid
InChI:
InChI=1S/C10H14BNO4/c1-7(2)5-8-3-4-9(11(13)14)6-10(8)12(15)16/h3-4,6-7,13-14H,5H2,1-2H3
InChI Key:
BXGWPVQZLGUZBZ-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1[N+](=O)[O-])B(O)O)C
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.102g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
223.035g/mol
Monoisotopic Mass:
223.102g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties