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Home > Boronic Acids > 2096340-21-3
2096340-21-3 | 2-methyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,3,4-oxadiazole
CAS No: 2096340-21-3 Catalog No: AG01EKVO MDL No:MFCD20486753
Product Description
Catalog Number:
AG01EKVO
Chemical Name:
2-methyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,3,4-oxadiazole
CAS Number:
2096340-21-3
Molecular Formula:
C16H21BN2O3
Molecular Weight:
300.1605
MDL Number:
MFCD20486753
IUPAC Name:
2-methyl-5-[[4-(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)10-12-6-8-13(9-7-12)17-21-15(2,3)16(4,5)22-17/h6-9H,10H2,1-5H3
InChI Key:
DPPCCJJGWHNOQE-UHFFFAOYSA-N
SMILES:
Cc1nnc(o1)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
381
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
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