Home Boronic acids 3-Nitro-5-(trifluoromethyl)phenylboronic acid pinacol ester

3-Nitro-5-(trifluoromethyl)phenylboronic acid pinacol ester

CAS No.:
2096337-98-1
Catalog Number:
AG01EHA9
Molecular Formula:
C13H15BF3NO4
Molecular Weight:
317.0687
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$250
- +
1g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG01EHA9
Chemical Name:
3-Nitro-5-(trifluoromethyl)phenylboronic acid pinacol ester
CAS Number:
2096337-98-1
Molecular Formula:
C13H15BF3NO4
Molecular Weight:
317.0687
MDL Number:
MFCD16996359
IUPAC Name:
4,4,5,5-tetramethyl-2-[3-nitro-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H15BF3NO4/c1-11(2)12(3,4)22-14(21-11)9-5-8(13(15,16)17)6-10(7-9)18(19)20/h5-7H,1-4H3
InChI Key:
RITSVJLBVKIVBN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
434  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.105g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.071g/mol
Monoisotopic Mass:
317.105g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties