Home Boronic acids 4-Chloro-3-(methoxycarbonyl)-5-methylphenylboronic acid, pinacol ester

4-Chloro-3-(methoxycarbonyl)-5-methylphenylboronic acid, pinacol ester

CAS No.:
2096330-10-6
Catalog Number:
AG01EHJS
Molecular Formula:
C15H20BClO4
Molecular Weight:
310.5809
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$125
- +
1g
97%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG01EHJS
Chemical Name:
4-Chloro-3-(methoxycarbonyl)-5-methylphenylboronic acid, pinacol ester
CAS Number:
2096330-10-6
Molecular Formula:
C15H20BClO4
Molecular Weight:
310.5809
MDL Number:
MFCD18914528
IUPAC Name:
methyl 2-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C15H20BClO4/c1-9-7-10(8-11(12(9)17)13(18)19-6)16-20-14(2,3)15(4,5)21-16/h7-8H,1-6H3
InChI Key:
ISLNWYBITMRHFV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1Cl)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.114g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.581g/mol
Monoisotopic Mass:
310.114g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties