Home Boronic acids 1H-Pyrazole-3-boronic acid

1H-Pyrazole-3-boronic acid

CAS No.:
376584-63-3
Catalog Number:
AG003U1W
Molecular Formula:
C3H5BN2O2
Molecular Weight:
111.8950
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$39
- +
5g
97%
In Stock USA
United States
$157
- +
25g
97%
In Stock USA
United States
$563
- +
100g
97%
In Stock USA
United States
$1563
- +
Product Description
Catalog Number:
AG003U1W
Chemical Name:
1H-Pyrazole-3-boronic acid
CAS Number:
376584-63-3
Molecular Formula:
C3H5BN2O2
Molecular Weight:
111.8950
MDL Number:
MFCD11044442
IUPAC Name:
1H-pyrazol-5-ylboronic acid
InChI:
InChI=1S/C3H5BN2O2/c7-4(8)3-1-2-5-6-3/h1-2,7-8H,(H,5,6)
InChI Key:
NEUWPDLMDVINSN-UHFFFAOYSA-N
SMILES:
OB(c1cc[nH]n1)O
Properties
Complexity:
79.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.044g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
111.895g/mol
Monoisotopic Mass:
112.044g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Inhibitor scaffold for the histone lysine demethylase KDM4C (JMJD2C). Bioorganic & medicinal chemistry letters 20120915
Properties