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Home > Boronic Acids > 847818-78-4
847818-78-4 | 1-(3,3-Diethoxypropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No: 847818-78-4 Catalog No: AG004RHG MDL No:MFCD12405506
Product Description
Catalog Number:
AG004RHG
Chemical Name:
1-(3,3-Diethoxypropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
847818-78-4
Molecular Formula:
C16H29BN2O4
Molecular Weight:
324.2235
MDL Number:
MFCD12405506
IUPAC Name:
1-(3,3-diethoxypropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C16H29BN2O4/c1-7-20-14(21-8-2)10-12-19-13(9-11-18-19)17-22-15(3,4)16(5,6)23-17/h9,11,14H,7-8,10,12H2,1-6H3
InChI Key:
RQETUILOMRMBEL-UHFFFAOYSA-N
SMILES:
CCOC(CCn1nccc1B1OC(C(O1)(C)C)(C)C)OCC
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.222g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.228g/mol
Monoisotopic Mass:
324.222g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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