Home Boronic Acids 1162262-39-6
1162262-39-6,MFCD11616525
Catalog No.:AA000BW5
1162262-39-6 | 3,5-Dimethylpyrazole-4-boronic acid, HCl
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250mg
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$193.00   $135.00
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1g
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$294.00   $206.00
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Technical Information
Catalog Number:
AA000BW5
Chemical Name:
3,5-Dimethylpyrazole-4-boronic acid, HCl
CAS Number:
1162262-39-6
Molecular Formula:
C5H10BClN2O2
Molecular Weight:
176.4091
MDL Number:
MFCD11616525
IUPAC Name:
(3,5-dimethyl-1H-pyrazol-4-yl)boronic acid;hydrochloride
InChI:
InChI=1S/C5H9BN2O2.ClH/c1-3-5(6(9)10)4(2)8-7-3;/h9-10H,1-2H3,(H,7,8);1H
InChI Key:
OZOICLKAFJMZGM-UHFFFAOYSA-N
SMILES:
OB(c1c(C)n[nH]c1C)O.Cl
Properties
Computed Properties
 
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.052g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
176.407g/mol
Monoisotopic Mass:
176.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1162262-39-6 
(3,5-Dimethyl-1H-pyrazol-4-yl)boronic acid hydrochloride 
ZX-AT013812 
2669AA 
ANW-53398 
MFCD11616525 
AKOS006317693 
OR40658 
PS-9787 
QC-4738 
AK-93508 
BC000091 
3,5-DIMETHYLPYRAZOLE-4-BORONIC ACID HYDROCHLORIDE 
AX8230894 
RT-024635 
ST24020305 
B-6502 
3,5-DIMETHYLPYRAZOLE-4-BORONIC ACID, HCL 
(3,5-Dimethyl-1H-pyrazol-4-yl)boronic acidhydrochloride 
3,5-dimethyl-1H-pyrazol-4-ylboronic acid hydrochloride 
3,5-Dimethyl-1H-pyrazole-4-boronic acid hydrochloride, AldrichCPR 
(3,5-Dimethyl-1H-pyrazol-4-yl)boronic acid--hydrogen chloride (1/1) 
Boronic acid, B-(3,5-dimethyl-1H-pyrazol-4-yl)-, hydrochloride (1:1) 
3,5-DIMETHYL-1H-PYRAZOLE-4-BORONIC ACID, HYDROCHLORIDE 
3,5-DIMETHYLPYRAZOLE-4-BORONIC ACID HCL 
3,5-Dimethyl-1H-pyrazole-4-boronic acid hydrochloride 
C5H10BClN2O2 
CTK8B6399 
DTXSID40696522 
ZXBA000683 
Literature
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