Home Boronic acids 3-Acetamido-4-nitrophenylboronic acid

3-Acetamido-4-nitrophenylboronic acid

CAS No.:
78887-37-3
Catalog Number:
AG003ISL
Molecular Formula:
C8H9BN2O5
Molecular Weight:
223.9785
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%
In Stock USA
United States
$400
- +
250mg
98%
In Stock USA
United States
$625
- +
Product Description
Catalog Number:
AG003ISL
Chemical Name:
3-Acetamido-4-nitrophenylboronic acid
CAS Number:
78887-37-3
Molecular Formula:
C8H9BN2O5
Molecular Weight:
223.9785
MDL Number:
MFCD12025959
IUPAC Name:
(3-acetamido-4-nitrophenyl)boronic acid
InChI:
InChI=1S/C8H9BN2O5/c1-5(12)10-7-4-6(9(13)14)2-3-8(7)11(15)16/h2-4,13-14H,1H3,(H,10,12)
InChI Key:
ADVXLCMYNUPALJ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(ccc1[N+](=O)[O-])B(O)O
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.06g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
223.979g/mol
Monoisotopic Mass:
224.06g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties