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1257997-17-3

1257997-17-3 | 1H-Pyrazole, 1-[trans-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

CAS No: 1257997-17-3 Catalog No: AG000ORG MDL No:MFCD22572246

Product Description

Catalog Number:
AG000ORG
Chemical Name:
1H-Pyrazole, 1-[trans-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1257997-17-3
Molecular Formula:
C21H39BN2O3Si
Molecular Weight:
406.4425
MDL Number:
MFCD22572246
IUPAC Name:
tert-butyl-dimethyl-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]cyclohexyl]oxysilane
InChI:
InChI=1S/C21H39BN2O3Si/c1-19(2,3)28(8,9)25-18-12-10-17(11-13-18)24-15-16(14-23-24)22-26-20(4,5)21(6,7)27-22/h14-15,17-18H,10-13H2,1-9H3
InChI Key:
ATWMPDRWZDGUHN-UHFFFAOYSA-N
SMILES:
C[Si](C(C)(C)C)(O[C@@H]1CC[C@H](CC1)n1ncc(c1)B1OC(C(O1)(C)C)(C)C)C

Properties

Complexity:
540  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.282g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.449g/mol
Monoisotopic Mass:
406.282g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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