Home Boronic acids 5-Trifluoromethyl-1h-pyrazol-4-ylboronic acid

5-Trifluoromethyl-1h-pyrazol-4-ylboronic acid

CAS No.:
1202054-12-3
Catalog Number:
AG0081B6
Molecular Formula:
C4H4BF3N2O2
Molecular Weight:
179.8930
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$155
- +
Product Description
Catalog Number:
AG0081B6
Chemical Name:
5-Trifluoromethyl-1h-pyrazol-4-ylboronic acid
CAS Number:
1202054-12-3
Molecular Formula:
C4H4BF3N2O2
Molecular Weight:
179.8930
MDL Number:
MFCD07375369
IUPAC Name:
[5-(trifluoromethyl)-1H-pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C4H4BF3N2O2/c6-4(7,8)3-2(5(11)12)1-9-10-3/h1,11-12H,(H,9,10)
InChI Key:
XJZGCUKCAPHOBU-UHFFFAOYSA-N
SMILES:
OB(c1cn[nH]c1C(F)(F)F)O
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.032g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
179.893g/mol
Monoisotopic Mass:
180.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties