Home Boronic Acids 1025735-46-9
1025735-46-9,MFCD08572151
Catalog No.:AA0007PB
1025735-46-9 | 3-(3,5-Dimethyl-1h-pyrazol-1-yl)phenylboronic acid
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250mg
95%
in stock  
$178.00   $125.00
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1g
95%
in stock  
$374.00   $262.00
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5g
95%
in stock  
$1,262.00   $884.00
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Technical Information
Catalog Number:
AA0007PB
Chemical Name:
3-(3,5-Dimethyl-1h-pyrazol-1-yl)phenylboronic acid
CAS Number:
1025735-46-9
Molecular Formula:
C11H13BN2O2
Molecular Weight:
216.0441
MDL Number:
MFCD08572151
IUPAC Name:
[3-(3,5-dimethylpyrazol-1-yl)phenyl]boronic acid
InChI:
InChI=1S/C11H13BN2O2/c1-8-6-9(2)14(13-8)11-5-3-4-10(7-11)12(15)16/h3-7,15-16H,1-2H3
InChI Key:
RBSKBRQNRWKHSP-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C)c1cccc(c1)B(O)O
Properties
Computed Properties
 
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.107g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
216.047g/mol
Monoisotopic Mass:
216.107g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1025735-46-9 
[3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PHENYL]BORONIC ACID 
WT82532 
AS-55626 
DA-16199 
CS-0037925 
FT-0719196 
Y-3968 
Boronic acid, B-[3-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]- 
C11H13BN2O2 
3-(3,5-dimethyl-1H-pyrazol-1-yl)phenylboronic acid 
[3-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl] boronic acid 
SCHEMBL15332640 
4481AH 
MFCD08572151 
AKOS003237452 
ZINC169946186 
AB45809 
Literature
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