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Home > Boronic Acids > 1073372-04-9

1073372-04-9

1073372-04-9 | 1-(Phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

CAS No: 1073372-04-9 Catalog No: AG0032J7 MDL No:MFCD09037504

Product Description

Catalog Number:
AG0032J7
Chemical Name:
1-(Phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
1073372-04-9
Molecular Formula:
C15H19BN2O4S
Molecular Weight:
334.1984
MDL Number:
MFCD09037504
IUPAC Name:
1-(benzenesulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C15H19BN2O4S/c1-14(2)15(3,4)22-16(21-14)12-10-17-18(11-12)23(19,20)13-8-6-5-7-9-13/h5-11H,1-4H3
InChI Key:
NPRHNPBHUVCHKP-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnn(c1)S(=O)(=O)c1ccccc1

Properties

Complexity:
524  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.116g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.197g/mol
Monoisotopic Mass:
334.116g/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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