Home Boronic Acids 1233526-47-0
1233526-47-0,MFCD18383241
Catalog No.:AA000KCN
1233526-47-0 | 1H-Pyrazole, 1-(cyclobutylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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1g
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Technical Information
Catalog Number:
AA000KCN
Chemical Name:
1H-Pyrazole, 1-(cyclobutylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1233526-47-0
Molecular Formula:
C14H23BN2O2
Molecular Weight:
262.1556
MDL Number:
MFCD18383241
IUPAC Name:
1-(cyclobutylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C14H23BN2O2/c1-13(2)14(3,4)19-15(18-13)12-8-16-17(10-12)9-11-6-5-7-11/h8,10-11H,5-7,9H2,1-4H3
InChI Key:
KNRSHJUPUUIKJW-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnn(c1)CC1CCC1
Properties
Computed Properties
 
Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.185g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.16g/mol
Monoisotopic Mass:
262.185g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1233526-47-0 
1-(cyclobutylmethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 
FCH2800642 
SB12169 
AS-52932 
CS-0052831 
FT-0751721 
F2147-7470 
1-(Cyclobutylmethyl)-1H-pyrazole-4-boronic acid pinacol ester 
1H-Pyrazole, 1-(cyclobutylmethyl)-4-(4,4,5,5tetramethyl-1,3,2-dioxaborolan-2-yl)- 
1-(cyclobutylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 
A1-02845 
SCHEMBL2997065 
KNRSHJUPUUIKJW-UHFFFAOYSA-N 
KS-000004MD 
MFCD18383241 
AKOS030238490 
ZINC201542943 
Literature
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