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Home > Boronic Acids > 763120-58-7
763120-58-7 | 1H-Pyrazole-4-boronic acid
CAS No: 763120-58-7 Catalog No: AG0036JW MDL No:MFCD07368251
Product Description
Catalog Number:
AG0036JW
Chemical Name:
1H-Pyrazole-4-boronic acid
CAS Number:
763120-58-7
Molecular Formula:
C3H5BN2O2
Molecular Weight:
111.8950
MDL Number:
MFCD07368251
IUPAC Name:
1H-pyrazol-4-ylboronic acid
InChI:
InChI=1S/C3H5BN2O2/c7-4(8)3-1-5-6-2-3/h1-2,7-8H,(H,5,6)
InChI Key:
KEZNMOUMHOZFRA-UHFFFAOYSA-N
SMILES:
OB(c1c[nH]nc1)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 |
|---|---|
| Synthesis, carbohydrate- and DNA-binding studies of cationic 2,2':6',2''-terpyridineplatinum(II) complexes containing N- and S-donor boronic acid ligands. | Dalton transactions (Cambridge, England : 2003) 20110114 |
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