200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 1218789-87-7
1218789-87-7 | Ethanone, 2,2,2-trifluoro-1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1-piperazinyl]-
CAS No: 1218789-87-7 Catalog No: AG00168B MDL No:MFCD12913980
Product Description
Catalog Number:
AG00168B
Chemical Name:
Ethanone, 2,2,2-trifluoro-1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1-piperazinyl]-
CAS Number:
1218789-87-7
Molecular Formula:
C17H23BF3N3O3
Molecular Weight:
385.1890
MDL Number:
MFCD12913980
IUPAC Name:
2,2,2-trifluoro-1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazin-1-yl]ethanone
InChI:
InChI=1S/C17H23BF3N3O3/c1-15(2)16(3,4)27-18(26-15)12-5-6-13(22-11-12)23-7-9-24(10-8-23)14(25)17(19,20)21/h5-6,11H,7-10H2,1-4H3
InChI Key:
VWUMYQIQIXOMIA-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)N1CCN(CC1)c1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.178g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.194g/mol
Monoisotopic Mass:
385.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.