Home Boronic acids 5-Bromo-2-fluoro-4-(methoxycarbonyl)phenylboronic acid, pinacol ester

5-Bromo-2-fluoro-4-(methoxycarbonyl)phenylboronic acid, pinacol ester

CAS No.:
2096331-46-1
Catalog Number:
AG01EHMF
Molecular Formula:
C14H17BBrFO4
Molecular Weight:
358.9958
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$275
- +
1g
98%
In Stock USA
United States
$575
- +
Product Description
Catalog Number:
AG01EHMF
Chemical Name:
5-Bromo-2-fluoro-4-(methoxycarbonyl)phenylboronic acid, pinacol ester
CAS Number:
2096331-46-1
Molecular Formula:
C14H17BBrFO4
Molecular Weight:
358.9958
MDL Number:
MFCD18837629
IUPAC Name:
methyl 2-bromo-5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C14H17BBrFO4/c1-13(2)14(3,4)21-15(20-13)9-7-10(16)8(6-11(9)17)12(18)19-5/h6-7H,1-5H3
InChI Key:
TWWOHUUTBVPQQO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(cc1Br)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.039g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.998g/mol
Monoisotopic Mass:
358.039g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties