Home Boronic acids Isoquinoline-4-boronic acid

Isoquinoline-4-boronic acid

CAS No.:
192182-56-2
Catalog Number:
AG002FP6
Molecular Formula:
C9H8BNO2
Molecular Weight:
172.9763
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$57
- +
5g
>95%
In Stock USA
United States
$130
- +
25g
96%
In Stock USA
United States
$532
- +
Product Description
Catalog Number:
AG002FP6
Chemical Name:
Isoquinoline-4-boronic acid
CAS Number:
192182-56-2
Molecular Formula:
C9H8BNO2
Molecular Weight:
172.9763
MDL Number:
MFCD03412093
IUPAC Name:
isoquinolin-4-ylboronic acid
InChI:
InChI=1S/C9H8BNO2/c12-10(13)9-6-11-5-7-3-1-2-4-8(7)9/h1-6,12-13H
InChI Key:
GDTOUTKTCGPAGY-UHFFFAOYSA-N
SMILES:
OB(c1cncc2c1cccc2)O
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.065g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
172.978g/mol
Monoisotopic Mass:
173.065g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties