Home Boronic acids 3-Aminophenylboronic acid hemisulfate

3-Aminophenylboronic acid hemisulfate

CAS No.:
66472-86-4
Catalog Number:
AG00FHGU
Molecular Formula:
C12H18B2N2O8S
Molecular Weight:
371.9669
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$40
- +
5g
98%
In Stock USA
United States
$90
- +
10g
98%
In Stock USA
United States
$130
- +
25g
98%
In Stock USA
United States
$286
- +
Product Description
Catalog Number:
AG00FHGU
Chemical Name:
3-Aminophenylboronic acid hemisulfate
CAS Number:
66472-86-4
Molecular Formula:
C12H18B2N2O8S
Molecular Weight:
371.9669
MDL Number:
MFCD00013111
IUPAC Name:
(3-aminophenyl)boronic acid;sulfuric acid
InChI:
InChI=1S/2C6H8BNO2.H2O4S/c2*8-6-3-1-2-5(4-6)7(9)10;1-5(2,3)4/h2*1-4,9-10H,8H2;(H2,1,2,3,4)
InChI Key:
UKTAURVTSWDIQR-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.Nc1cccc(c1)B(O)O.Nc1cccc(c1)B(O)O
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.097g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
371.962g/mol
Monoisotopic Mass:
372.097g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
216A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties