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Home > Boronic Acids > 376584-63-3
376584-63-3 | (1H-Pyrazol-3-yl)boronic acid
CAS No: 376584-63-3 Catalog No: AG003U1W MDL No:MFCD07368247
Product Description
Catalog Number:
AG003U1W
Chemical Name:
(1H-Pyrazol-3-yl)boronic acid
CAS Number:
376584-63-3
Molecular Formula:
C3H5BN2O2
Molecular Weight:
111.8950
MDL Number:
MFCD07368247
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 |
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