Home Boronic acids 3-Chloro-5-hydroxymethylphenylboronic acid, pinacol ester

3-Chloro-5-hydroxymethylphenylboronic acid, pinacol ester

CAS No.:
1112210-59-9
Catalog Number:
AG00HC4G
Molecular Formula:
C13H18BClO3
Molecular Weight:
268.5442
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$275
- +
1g
95%
In Stock USA
United States
$482
- +
Product Description
Catalog Number:
AG00HC4G
Chemical Name:
3-Chloro-5-hydroxymethylphenylboronic acid, pinacol ester
CAS Number:
1112210-59-9
Molecular Formula:
C13H18BClO3
Molecular Weight:
268.5442
MDL Number:
MFCD18374004
IUPAC Name:
[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
InChI:
InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)10-5-9(8-16)6-11(15)7-10/h5-7,16H,8H2,1-4H3
InChI Key:
XGKRASSKANIIOZ-UHFFFAOYSA-N
SMILES:
OCc1cc(Cl)cc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.104g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.544g/mol
Monoisotopic Mass:
268.104g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties