200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 1421252-90-5
1421252-90-5 | 1H-Indazole, 3,5-dimethyl-1-[(4-methylphenyl)sulfonyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1421252-90-5 Catalog No: AG001HTA MDL No:MFCD28130306
Product Description
Catalog Number:
AG001HTA
Chemical Name:
1H-Indazole, 3,5-dimethyl-1-[(4-methylphenyl)sulfonyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1421252-90-5
Molecular Formula:
C22H27BN2O4S
Molecular Weight:
426.3368
MDL Number:
MFCD28130306
IUPAC Name:
3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
InChI:
InChI=1S/C22H27BN2O4S/c1-14-8-11-17(12-9-14)30(26,27)25-18-13-10-15(2)20(19(18)16(3)24-25)23-28-21(4,5)22(6,7)29-23/h8-13H,1-7H3
InChI Key:
GSMMFVZBZKAEIG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1nc(c2c1ccc(c2B1OC(C(O1)(C)C)(C)C)C)C
Properties
Complexity:
729
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.178g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.338g/mol
Monoisotopic Mass:
426.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.