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Home > Boronic Acids > 1391835-53-2
1391835-53-2 | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrazole
CAS No: 1391835-53-2 Catalog No: AG00HVGX MDL No:MFCD22571831
Product Description
Catalog Number:
AG00HVGX
Chemical Name:
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrazole
CAS Number:
1391835-53-2
Molecular Formula:
C16H21BN2O4S
Molecular Weight:
348.2249
MDL Number:
MFCD22571831
IUPAC Name:
1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C16H21BN2O4S/c1-12-6-8-14(9-7-12)24(20,21)19-11-13(10-18-19)17-22-15(2,3)16(4,5)23-17/h6-11H,1-5H3
InChI Key:
AMHSMPPRQCGVEY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.132g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.224g/mol
Monoisotopic Mass:
348.132g/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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