Home Boronic Acids 1002309-48-9
1002309-48-9,MFCD16659010
Catalog No.:AA00017X
1002309-48-9 | 1H-Pyrazole, 1-cyclobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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250mg
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1g
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Technical Information
Catalog Number:
AA00017X
Chemical Name:
1H-Pyrazole, 1-cyclobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1002309-48-9
Molecular Formula:
C13H21BN2O2
Molecular Weight:
248.1290
MDL Number:
MFCD16659010
IUPAC Name:
1-cyclobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C13H21BN2O2/c1-12(2)13(3,4)18-14(17-12)10-8-15-16(9-10)11-6-5-7-11/h8-9,11H,5-7H2,1-4H3
InChI Key:
OBCTWWFLJFCNPC-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnn(c1)C1CCC1
Properties
Computed Properties
 
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.17g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.133g/mol
Monoisotopic Mass:
248.17g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1002309-48-9 
1-Cyclobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 
ANW-49442 
MFCD16659010 
AKOS015919974 
ZINC169745687 
CC-1938 
CS-W018839 
PB33274 
QC-4911 
RP28796 
AK-38138 
1-cyclobutyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 
BR-38138 
DS-13213 
AB0031703 
DB-058332 
ST1110758 
TC-138187 
4CH-000458 
FT-0731503 
X4879 
X8481 
1-CYCLOBUTYL-1H-PYRAZOLE-4-BORONIC ACID PINACOL ESTER 
C-8209 
J-504543 
F2147-7527 
1-cyclobutyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole 
(1-CYCLOBUTYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER 
1-Cyclobutyl-1H-pyrazole-4-boronic acid pinacol ester, AldrichCPR 
1-Cyclobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole 
1H-PYRAZOLE, 1-CYCLOBUTYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)- 
C13H21BN2O2 
ACN-029984 
1-Cyclobutyl-1H-pyrazole-4-boronic acid, pinacol ester 
SCHEMBL2572488 
CTK8B5647 
DTXSID50719216 
BCP22641 
KS-000007DO 
Literature
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