Home Boronic acids 3-(Benzylamino)-5-nitrophenylboronic acid, HCl

3-(Benzylamino)-5-nitrophenylboronic acid, HCl

CAS No.:
913835-78-6
Catalog Number:
AG00GTD0
Molecular Formula:
C13H14BClN2O4
Molecular Weight:
308.5253
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$225
- +
5g
95%
In Stock USA
United States
$725
- +
Product Description
Catalog Number:
AG00GTD0
Chemical Name:
3-(Benzylamino)-5-nitrophenylboronic acid, HCl
CAS Number:
913835-78-6
Molecular Formula:
C13H14BClN2O4
Molecular Weight:
308.5253
MDL Number:
MFCD08689484
IUPAC Name:
[3-(benzylamino)-5-nitrophenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C13H13BN2O4.ClH/c17-14(18)11-6-12(8-13(7-11)16(19)20)15-9-10-4-2-1-3-5-10;/h1-8,15,17-18H,9H2;1H
InChI Key:
YSXGPPOSKCOXDK-UHFFFAOYSA-N
SMILES:
OB(c1cc(NCc2ccccc2)cc(c1)[N+](=O)[O-])O.Cl
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.074g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
308.525g/mol
Monoisotopic Mass:
308.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties