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Home > Boronic Acids > 1612173-68-8
1612173-68-8 | 1-(ethylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No: 1612173-68-8 Catalog No: AG01DTQ1 MDL No:
Product Description
Catalog Number:
AG01DTQ1
Chemical Name:
1-(ethylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
1612173-68-8
Molecular Formula:
C11H19BN2O4S
Molecular Weight:
286.1556
IUPAC Name:
1-ethylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C11H19BN2O4S/c1-6-19(15,16)14-8-9(7-13-14)12-17-10(2,3)11(4,5)18-12/h7-8H,6H2,1-5H3
InChI Key:
OFPXYHDUQSEHTJ-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)n1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.153g/mol
Monoisotopic Mass:
286.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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