Home Boronic acids 3-Bromomethylphenylboronic acid, neopentyl glycol ester

3-Bromomethylphenylboronic acid, neopentyl glycol ester

CAS No.:
223799-25-5
Catalog Number:
AG006Y5S
Molecular Formula:
C12H16BBrO2
Molecular Weight:
282.9692
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$125
- +
5g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG006Y5S
Chemical Name:
3-Bromomethylphenylboronic acid, neopentyl glycol ester
CAS Number:
223799-25-5
Molecular Formula:
C12H16BBrO2
Molecular Weight:
282.9692
MDL Number:
MFCD04973735
IUPAC Name:
2-[3-(bromomethyl)phenyl]-5,5-dimethyl-1,3,2-dioxaborinane
InChI:
InChI=1S/C12H16BBrO2/c1-12(2)8-15-13(16-9-12)11-5-3-4-10(6-11)7-14/h3-6H,7-9H2,1-2H3
InChI Key:
YMHOSDXBNPFLLT-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1)B1OCC(CO1)(C)C
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.043g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.972g/mol
Monoisotopic Mass:
282.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties