Home Boronic Acids 1002334-06-6
1002334-06-6,MFCD16659793
Catalog No.:AA00017V
1002334-06-6 | 1H-Pyrazole, 1-methyl-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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100mg
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250mg
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Technical Information
Catalog Number:
AA00017V
Chemical Name:
1H-Pyrazole, 1-methyl-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1002334-06-6
Molecular Formula:
C16H21BN2O2
Molecular Weight:
284.1611
MDL Number:
MFCD16659793
IUPAC Name:
1-methyl-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C16H21BN2O2/c1-15(2)16(3,4)21-17(20-15)13-11-19(5)18-14(13)12-9-7-6-8-10-12/h6-11H,1-5H3
InChI Key:
NSSUPGLVAJXATA-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)c1ccccc1)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
367  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.17g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.166g/mol
Monoisotopic Mass:
284.17g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1002334-06-6 
1-methyl-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 
ANW-61632 
CM0029 
MFCD16659793 
AKOS016002845 
ZINC169747125 
AM85091 
MB15010 
DS-13600 
OR350250 
AX8206182 
AK-38184 
ST2415416 
TC-150377 
4CH-016071 
1-Methyl-3-phenyl-1H-pyrazole-4-boronic acid pinacol ester 
(1-METHYL-3-PHENYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER 
1H-Pyrazole,1-methyl-3-phenyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)- 
2-(1-Methyl-3-phenyl-1H-pyrazole-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
C16H21BN2O2 
ACN-046462 
1-methyl-3-phenyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 
1H-PYRAZOLE, 1-METHYL-3-PHENYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)- 
PubChem18517 
SCHEMBL1555253 
CTK8B8945 
DTXSID80733788 
KS-00000OA1 
0128AA 
Literature
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