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

2-Carboxy-3-chlorophenylboronic acid pinacol ester

CAS No.:
891843-31-5
Catalog Number:
AG00IFLE
Molecular Formula:
C13H16BClO4
Molecular Weight:
282.5277
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$188
- +
5g
95%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00IFLE
Chemical Name:
2-Carboxy-3-chlorophenylboronic acid pinacol ester
CAS Number:
891843-31-5
Molecular Formula:
C13H16BClO4
Molecular Weight:
282.5277
MDL Number:
MFCD24039758
IUPAC Name:
5-chloro-2-(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)10-6-5-8(15)7-9(10)11(16)17/h5-7H,1-4H3,(H,16,17)
InChI Key:
DHQQJDZYFXKWJO-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(cccc1Cl)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