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Home > Boronic Acids > 2096339-94-3
2096339-94-3 | 2-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-1,3,4-oxadiazole
CAS No: 2096339-94-3 Catalog No: AG01EKXW MDL No:MFCD20486751
Product Description
Catalog Number:
AG01EKXW
Chemical Name:
2-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-1,3,4-oxadiazole
CAS Number:
2096339-94-3
Molecular Formula:
C15H19BN2O3
Molecular Weight:
286.1340
MDL Number:
MFCD20486751
IUPAC Name:
2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,3,4-oxadiazole
InChI:
InChI=1S/C15H19BN2O3/c1-14(2)15(3,4)21-16(20-14)12-7-5-11(6-8-12)9-13-18-17-10-19-13/h5-8,10H,9H2,1-4H3
InChI Key:
QZSGKUCCKDDVKT-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)Cc1ocnn1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.149g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.138g/mol
Monoisotopic Mass:
286.149g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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