Home Boronic acids Isoquinolin-6-ylboronic acid, HCl

Isoquinolin-6-ylboronic acid, HCl

CAS No.:
1236031-63-2
Catalog Number:
AG000KTT
Molecular Formula:
C9H9BClNO2
Molecular Weight:
209.4373
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$273
- +
5g
95%
In Stock USA
United States
$793
- +
Product Description
Catalog Number:
AG000KTT
Chemical Name:
Isoquinolin-6-ylboronic acid, HCl
CAS Number:
1236031-63-2
Molecular Formula:
C9H9BClNO2
Molecular Weight:
209.4373
MDL Number:
MFCD23699566
IUPAC Name:
isoquinolin-6-ylboronic acid;hydrochloride
InChI:
InChI=1S/C9H8BNO2.ClH/c12-10(13)9-2-1-8-6-11-4-3-7(8)5-9;/h1-6,12-13H;1H
InChI Key:
MKNBRFWRIQVMGU-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)ccnc2)O.Cl
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.041g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
209.436g/mol
Monoisotopic Mass:
209.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties