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Home > Boronic Acids > 1314216-33-5
1314216-33-5 | Boronic acid, B-1H-pyrazol-3-yl-, hydrochloride (1:1)
CAS No: 1314216-33-5 Catalog No: AG000W4V MDL No:MFCD17167300
Product Description
Catalog Number:
AG000W4V
Chemical Name:
Boronic acid, B-1H-pyrazol-3-yl-, hydrochloride (1:1)
CAS Number:
1314216-33-5
Molecular Formula:
C3H6BClN2O2
Molecular Weight:
148.3559
MDL Number:
MFCD17167300
IUPAC Name:
1H-pyrazol-5-ylboronic acid;hydrochloride
InChI:
InChI=1S/C3H5BN2O2.ClH/c7-4(8)3-1-2-5-6-3;/h1-2,7-8H,(H,5,6);1H
InChI Key:
YUVMFPRVYZDAPN-UHFFFAOYSA-N
SMILES:
OB(c1cc[nH]n1)O.Cl
Properties
Complexity:
79.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.021g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
148.353g/mol
Monoisotopic Mass:
148.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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