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Home > Boronic Acids > 1778666-13-9
1778666-13-9 | 4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-1λ⁶-thiane-1,1-dione
CAS No: 1778666-13-9 Catalog No: AG00ILBJ MDL No:
Product Description
Catalog Number:
AG00ILBJ
Chemical Name:
4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-1λ⁶-thiane-1,1-dione
CAS Number:
1778666-13-9
Molecular Formula:
C14H23BN2O4S
Molecular Weight:
326.2194
IUPAC Name:
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]thiane 1,1-dioxide
InChI:
InChI=1S/C14H23BN2O4S/c1-13(2)14(3,4)21-15(20-13)11-9-16-17(10-11)12-5-7-22(18,19)8-6-12/h9-10,12H,5-8H2,1-4H3
InChI Key:
DTZXAYRWCJAQMB-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnn(c1)C1CCS(=O)(=O)CC1
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.218g/mol
Monoisotopic Mass:
326.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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