[3-(1-Methyl-1H-pyrazol-5-yl)phenyl]boronic acid
Product Information
Molecular Formula
C10H11BN2O2
Molecular Weight
202.02
Description
3-(1-Methyl-1H-pyrazol-5-yl)phenylboronic acid, inherently cardinal in formulating pharmaceutical amalgams, is distinctively exploited as an efficacious cross-coupling vector during novel therapeutical concoctions synthesis.
Synonyms
[3-(2-methylpyrazol-3-yl)phenyl]boronic acid; (3-(1-Methyl-1H-pyrazol-5-yl)phenyl)boronicacid; boronic acid, [3-(1-methyl-1H-pyrazol-5-yl)phenyl]-; [3-(1-Methyl-1H-pyrazol-5-yl)phenyl]boronic acid
IUPAC Name
[3-(2-methylpyrazol-3-yl)phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)C2=CC=NN2C)(O)O
InChI
InChI=1S/C10H11BN2O2/c1-13-10(5-6-12-13)8-3-2-4-9(7-8)11(14)15/h2-7,14-15H,1H3
InChI Key
VISQEUJMQDFZKE-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H301 - H318
Precautionary Statement
P280 - P301 + P310 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
202.0913578 g/mol
Monoisotopic Mass
202.0913578 g/mol
Topological Polar Surface Area
58.3Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
216
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
