200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 2096330-21-9
2096330-21-9 | 2-methyl-5-{[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-1,3,4-oxadiazole
CAS No: 2096330-21-9 Catalog No: AG01EKXA MDL No:MFCD20486754
Product Description
Catalog Number:
AG01EKXA
Chemical Name:
2-methyl-5-{[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-1,3,4-oxadiazole
CAS Number:
2096330-21-9
Molecular Formula:
C16H21BN2O3
Molecular Weight:
300.1605
MDL Number:
MFCD20486754
IUPAC Name:
2-methyl-5-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,3,4-oxadiazole
InChI:
InChI=1S/C16H21BN2O3/c1-11-18-19-14(20-11)10-12-7-6-8-13(9-12)17-21-15(2,3)16(4,5)22-17/h6-9H,10H2,1-5H3
InChI Key:
QZCLCRHLRVJZKV-UHFFFAOYSA-N
SMILES:
Cc1nnc(o1)Cc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.165g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.165g/mol
Monoisotopic Mass:
300.165g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.