Home Nitriles 2-Hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

2-Hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

CAS No.:
775351-56-9
Catalog Number:
AG0036IB
Molecular Formula:
C13H16BNO3
Molecular Weight:
245.0820
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$69
- +
1g
97%
In Stock USA
United States
$157
- +
5g
97%
In Stock USA
United States
$500
- +
Product Description
Catalog Number:
AG0036IB
Chemical Name:
2-Hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Number:
775351-56-9
Molecular Formula:
C13H16BNO3
Molecular Weight:
245.0820
MDL Number:
MFCD16994355
IUPAC Name:
2-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)10-5-6-11(16)9(7-10)8-15/h5-7,16H,1-4H3
InChI Key:
PUOBFTBTFCPICR-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1O)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
358  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.122g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.085g/mol
Monoisotopic Mass:
245.122g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties