Home Boronic acids 5-Carboxy-2-fluoro-3-methylphenylboronic acid, pinacol ester

5-Carboxy-2-fluoro-3-methylphenylboronic acid, pinacol ester

CAS No.:
2096332-06-6
Catalog Number:
AG01EHH8
Molecular Formula:
C14H18BFO4
Molecular Weight:
280.0997
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$438
- +
5g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG01EHH8
Chemical Name:
5-Carboxy-2-fluoro-3-methylphenylboronic acid, pinacol ester
CAS Number:
2096332-06-6
Molecular Formula:
C14H18BFO4
Molecular Weight:
280.0997
MDL Number:
MFCD19237207
IUPAC Name:
4-fluoro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI:
InChI=1S/C14H18BFO4/c1-8-6-9(12(17)18)7-10(11(8)16)15-19-13(2,3)14(4,5)20-15/h6-7H,1-5H3,(H,17,18)
InChI Key:
PPXUZUPLUCKDDV-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1F)B1OC(C(O1)(C)C)(C)C)C(=O)O
Properties
Complexity:
383  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.128g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
280.102g/mol
Monoisotopic Mass:
280.128g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties