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Home > Boronic Acids > 1282530-99-7
1282530-99-7 | 1H-Pyrazole, 1-[(methylsulfonyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1282530-99-7 Catalog No: AG000XW6 MDL No:MFCD22380827
Product Description
Catalog Number:
AG000XW6
Chemical Name:
1H-Pyrazole, 1-[(methylsulfonyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1282530-99-7
Molecular Formula:
C11H19BN2O4S
Molecular Weight:
286.1556
MDL Number:
MFCD22380827
IUPAC Name:
1-(methylsulfonylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C11H19BN2O4S/c1-10(2)11(3,4)18-12(17-10)9-6-13-14(7-9)8-19(5,15)16/h6-7H,8H2,1-5H3
InChI Key:
HHCTVKKVTRICQK-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)Cn1ncc(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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