1-Methyl-1H-indazole-4-boronic acid hydrochloride
Product Information
Molecular Formula
C8H10BClN2O2
Molecular Weight
212.44
Description
1-Methyl-1H-indazole-4-boronic acid hydrochloride is a biocompatible chemical compound found to be instrumental in cancer pharmacotherapy, particularly in targeted drug design due to its boronic acid moiety. Used in bio-conjugation studies related to protein labeling and cell tracking.
Synonyms
1-Methyl-1H-indazole-4-boronic acid hydrochloride; 1-METHYL-1H-INDAZOLE-4-BORONIC ACID, HCL SALT; (1-methylindazol-4-yl)boronic acid; hydrochloride; (1-Methyl-1H-indazol-4-yl)boronicacidhydrochloride; 1-METHYL-1H-INDAZOLE-4-BORONIC ACID, HYDROCHLORIDE SALT; (1-Methyl-1H-indazol-4-yl)boronic acid--hydrogen chloride (1/1)
IUPAC Name
(1-methylindazol-4-yl)boronic acidhydrochloride
SMILES
B(C1=C2C=NN(C2=CC=C1)C)(O)O.Cl
InChI
InChI=1S/C8H9BN2O2.ClH/c1-11-8-4-2-3-7(9(12)13)6(8)5-10-11/h2-5,12-13H,1H31H
InChI Key
KHFSEMAIXIWYGM-UHFFFAOYSA-N
Melting Point
118-123 °C
Flash Point
Not applicable
Storage
2-8°C
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
212.0523854 g/mol
Monoisotopic Mass
212.0523854 g/mol
Topological Polar Surface Area
58.3Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
191
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
2
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 2010-04-16 |
