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Home Boronic acids 2-Cyano-6-methoxyphenylboronic acid neopentyl glycol ester

2-Cyano-6-methoxyphenylboronic acid neopentyl glycol ester

CAS No.:
883898-97-3
Catalog Number:
AG004FDW
Molecular Formula:
C13H16BNO3
Molecular Weight:
245.0820
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$92
- +
5g
95%
In Stock USA
United States
$380
- +
10g
95%
In Stock USA
United States
$723
- +
25g
95%
In Stock USA
United States
$1438
- +
Product Description
Catalog Number:
AG004FDW
Chemical Name:
2-Cyano-6-methoxyphenylboronic acid neopentyl glycol ester
CAS Number:
883898-97-3
Molecular Formula:
C13H16BNO3
Molecular Weight:
245.0820
MDL Number:
MFCD08669557
IUPAC Name:
2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-methoxybenzonitrile
InChI:
InChI=1S/C13H16BNO3/c1-13(2)8-17-14(18-9-13)12-10(7-15)5-4-6-11(12)16-3/h4-6H,8-9H2,1-3H3
InChI Key:
KQEYALGDGSYUCE-UHFFFAOYSA-N
SMILES:
COc1cccc(c1B1OCC(CO1)(C)C)C#N
Properties
Complexity:
328  
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:
0
Isotope Atom Count:
0
Molecular Weight:
245.085g/mol
Monoisotopic Mass:
245.122g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties