Home Boronic acids (3-Cyanophenyl)boronic acid, neopentyl glycol ester

(3-Cyanophenyl)boronic acid, neopentyl glycol ester

CAS No.:
214360-45-9
Catalog Number:
AG0072D9
Molecular Formula:
C12H14BNO2
Molecular Weight:
215.0561
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$75
- +
5g
97%
In Stock USA
United States
$225
- +
25g
97%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG0072D9
Chemical Name:
(3-Cyanophenyl)boronic acid, neopentyl glycol ester
CAS Number:
214360-45-9
Molecular Formula:
C12H14BNO2
Molecular Weight:
215.0561
MDL Number:
MFCD09750437
IUPAC Name:
3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
InChI:
InChI=1S/C12H14BNO2/c1-12(2)8-15-13(16-9-12)11-5-3-4-10(6-11)7-14/h3-6H,8-9H2,1-2H3
InChI Key:
RTYUBKQTFNAFQC-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)B1OCC(CO1)(C)C
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.112g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.059g/mol
Monoisotopic Mass:
215.112g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties