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Home Boronic acids [4-methoxy-2-(1H-pyrazol-1-yl)phenyl]boronic acid

[4-methoxy-2-(1H-pyrazol-1-yl)phenyl]boronic acid

CAS No.:
1287753-34-7
Catalog Number:
AG009C23
Molecular Formula:
C10H11BN2O3
Molecular Weight:
218.0169
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Product Description
Catalog Number:
AG009C23
Chemical Name:
[4-methoxy-2-(1H-pyrazol-1-yl)phenyl]boronic acid
CAS Number:
1287753-34-7
Molecular Formula:
C10H11BN2O3
Molecular Weight:
218.0169
MDL Number:
MFCD08059988
IUPAC Name:
(4-methoxy-2-pyrazol-1-ylphenyl)boronic acid
InChI:
InChI=1S/C10H11BN2O3/c1-16-8-3-4-9(11(14)15)10(7-8)13-6-2-5-12-13/h2-7,14-15H,1H3
InChI Key:
HNIWENQDOKNTLY-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)n1cccn1)B(O)O
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.086g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
218.019g/mol
Monoisotopic Mass:
218.086g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties