[3-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl] boronic acid


Chemical Name: [3-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl] boronic acid
CAS Number: 1025735-46-9
Product Number: AG0007S3(AGN-PC-0WALQW)
Synonyms:
MDL No:
Molecular Formula: C11H13BN2O2
Molecular Weight: 216.0441

Identification/Properties


Computed Properties
Molecular Weight:
216.047g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
216.107g/mol
Monoisotopic Mass:
216.107g/mol
Topological Polar Surface Area:
58.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
240
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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