Home Boronic acids 2-(Methoxycarbonyl)-4-(trifluoromethyl)phenylboronic acid

2-(Methoxycarbonyl)-4-(trifluoromethyl)phenylboronic acid

CAS No.:
1072951-42-8
Catalog Number:
AG003BK6
Molecular Formula:
C9H8BF3O4
Molecular Weight:
247.9636
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$250
- +
1g
97%
In Stock USA
United States
$625
- +
Product Description
Catalog Number:
AG003BK6
Chemical Name:
2-(Methoxycarbonyl)-4-(trifluoromethyl)phenylboronic acid
CAS Number:
1072951-42-8
Molecular Formula:
C9H8BF3O4
Molecular Weight:
247.9636
MDL Number:
MFCD11504848
IUPAC Name:
[2-methoxycarbonyl-4-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H8BF3O4/c1-17-8(14)6-4-5(9(11,12)13)2-3-7(6)10(15)16/h2-4,15-16H,1H3
InChI Key:
AAXBJDGTBHKXKN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1B(O)O)C(F)(F)F
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.047g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
247.964g/mol
Monoisotopic Mass:
248.047g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties