Home Boronic acids 3-Carboxy-2-chlorophenylboronic acid, pinacol ester

3-Carboxy-2-chlorophenylboronic acid, pinacol ester

CAS No.:
2096331-90-5
Catalog Number:
AG01DHBX
Molecular Formula:
C13H16BClO4
Molecular Weight:
282.5277
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$375
- +
1g
98%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG01DHBX
Chemical Name:
3-Carboxy-2-chlorophenylboronic acid, pinacol ester
CAS Number:
2096331-90-5
Molecular Formula:
C13H16BClO4
Molecular Weight:
282.5277
MDL Number:
MFCD18783185
IUPAC Name:
2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI:
InChI=1S/C13H16BClO4/c1-12(2)13(3,4)19-14(18-12)9-7-5-6-8(10(9)15)11(16)17/h5-7H,1-4H3,(H,16,17)
InChI Key:
PYLCRLCEYRXOOJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1Cl)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.083g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.527g/mol
Monoisotopic Mass:
282.083g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties