Home Boronic acids 4-(4-Ethylpiperazin-1-ylsulfonyl)phenylboronic acid

4-(4-Ethylpiperazin-1-ylsulfonyl)phenylboronic acid

CAS No.:
486422-70-2
Catalog Number:
AG00DL69
Molecular Formula:
C12H19BN2O4S
Molecular Weight:
298.1663
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$375
- +
5g
96%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG00DL69
Chemical Name:
4-(4-Ethylpiperazin-1-ylsulfonyl)phenylboronic acid
CAS Number:
486422-70-2
Molecular Formula:
C12H19BN2O4S
Molecular Weight:
298.1663
MDL Number:
MFCD26397905
IUPAC Name:
[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]boronic acid
InChI:
InChI=1S/C12H19BN2O4S/c1-2-14-7-9-15(10-8-14)20(18,19)12-5-3-11(4-6-12)13(16)17/h3-6,16-17H,2,7-10H2,1H3
InChI Key:
XYNOKACGLGJGID-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)S(=O)(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.116g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
298.164g/mol
Monoisotopic Mass:
298.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties