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Home > Boronic Acids > 1146616-03-6
1146616-03-6 | Boronic acid, B-(1,3-dimethyl-1H-pyrazol-4-yl)-
CAS No: 1146616-03-6 Catalog No: AG000EZ9 MDL No:MFCD18250638
Product Description
Catalog Number:
AG000EZ9
Chemical Name:
Boronic acid, B-(1,3-dimethyl-1H-pyrazol-4-yl)-
CAS Number:
1146616-03-6
Molecular Formula:
C5H9BN2O2
Molecular Weight:
139.9482
MDL Number:
MFCD18250638
IUPAC Name:
(1,3-dimethylpyrazol-4-yl)boronic acid
InChI:
InChI=1S/C5H9BN2O2/c1-4-5(6(9)10)3-8(2)7-4/h3,9-10H,1-2H3
InChI Key:
SWUMSPVHWLBEHP-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)C)B(O)O
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.076g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
139.949g/mol
Monoisotopic Mass:
140.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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