Home Boronic Acids 1002334-13-5
1002334-13-5,MFCD16659786
Catalog No.:AA00017S
1002334-13-5 | 1H-Pyrazole, 1-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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100mg
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1g
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00017S
Chemical Name:
1H-Pyrazole, 1-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1002334-13-5
Molecular Formula:
C15H19BN2O2
Molecular Weight:
270.1346
MDL Number:
MFCD16659786
IUPAC Name:
1-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C15H19BN2O2/c1-14(2)15(3,4)20-16(19-14)13-10-11-18(17-13)12-8-6-5-7-9-12/h5-11H,1-4H3
InChI Key:
UBYYGXCGPBWGKO-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccn(n1)c1ccccc1
Properties
Computed Properties
 
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.154g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.139g/mol
Monoisotopic Mass:
270.154g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1-Phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 
1002334-13-5 
ZINC169745580 
CS-W018979 
FCH2772412 
MP-1459 
RP29610 
DS-13219 
AB0068640 
AX8208197 
TC-150383 
4CH-010000 
AK-38155 
ST24027153 
Z3785 
1-Phenylpyrazole-3-boronic acid pinacol ester 
1-Phenyl-1H-pyrazole-3-boronic acid pinacol ester 
J-505073 
(1-PHENYL-1H-PYRAZOL-3-YL)BORONIC ACID PINACOL ESTER 
1H-Pyrazole, 1-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 
2-(1-Phenyl-1H-pyrazole-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
C15H19BN2O2 
CTK8B8950 
KS-00000OBA 
DTXSID30743276 
BCP16948 
ANW-61638 
MFCD16659786 
AKOS016002823 
Literature
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