200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 934178-97-9
934178-97-9 | 7-Tosyl-7H-Pyrrolo[2,3-d]pyrimidine-5-boronic acid pinacol ester
CAS No: 934178-97-9 Catalog No: AG00H2R4 MDL No:MFCD17214383
Product Description
Catalog Number:
AG00H2R4
Chemical Name:
7-Tosyl-7H-Pyrrolo[2,3-d]pyrimidine-5-boronic acid pinacol ester
CAS Number:
934178-97-9
Molecular Formula:
C19H22BN3O4S
Molecular Weight:
399.2717
MDL Number:
MFCD17214383
IUPAC Name:
7-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C19H22BN3O4S/c1-13-6-8-14(9-7-13)28(24,25)23-11-16(15-10-21-12-22-17(15)23)20-26-18(2,3)19(4,5)27-20/h6-12H,1-5H3
InChI Key:
ZYPOBLQBYBAHND-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1ncnc2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.142g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.272g/mol
Monoisotopic Mass:
399.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.