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

2-Carbamoyl-4-(trifluoromethyl)phenylboronic acid

CAS No.:
1218790-55-6
Catalog Number:
AG00169P
Molecular Formula:
C8H7BF3NO3
Molecular Weight:
232.9523
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$275
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Product Description
Catalog Number:
AG00169P
Chemical Name:
2-Carbamoyl-4-(trifluoromethyl)phenylboronic acid
CAS Number:
1218790-55-6
Molecular Formula:
C8H7BF3NO3
Molecular Weight:
232.9523
MDL Number:
MFCD13195676
IUPAC Name:
[2-carbamoyl-4-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H7BF3NO3/c10-8(11,12)4-1-2-6(9(15)16)5(3-4)7(13)14/h1-3,15-16H,(H2,13,14)
InChI Key:
ZWBKNYWCDCOBOW-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc(ccc1B(O)O)C(F)(F)F
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.047g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
232.953g/mol
Monoisotopic Mass:
233.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties