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Home > Boronic Acids > 944994-03-0
944994-03-0 | 1-(Methylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No: 944994-03-0 Catalog No: AG003A7I MDL No:MFCD18383275
Product Description
Catalog Number:
AG003A7I
Chemical Name:
1-(Methylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
944994-03-0
Molecular Formula:
C10H17BN2O4S
Molecular Weight:
272.1290
MDL Number:
MFCD18383275
IUPAC Name:
1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C10H17BN2O4S/c1-9(2)10(3,4)17-11(16-9)8-6-12-13(7-8)18(5,14)15/h6-7H,1-5H3
InChI Key:
ZQRLNZRJGJLYPX-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnn(c1)S(=O)(=O)C
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.126g/mol
Monoisotopic Mass:
272.1g/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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