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Home > Boronic Acids > 957035-00-6
957035-00-6 | 5-Isopropyl-1-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenoxy);ethyl);-1H-1,2,3-triazol-4-ol
CAS No: 957035-00-6 Catalog No: AG003MTG MDL No:MFCD09475862
Product Description
Catalog Number:
AG003MTG
Chemical Name:
5-Isopropyl-1-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenoxy);ethyl);-1H-1,2,3-triazol-4-ol
CAS Number:
957035-00-6
Molecular Formula:
C19H28BN3O4
Molecular Weight:
373.2543
MDL Number:
MFCD09475862
IUPAC Name:
5-propan-2-yl-1-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]triazol-4-ol
InChI:
InChI=1S/C19H28BN3O4/c1-13(2)16-17(24)21-22-23(16)11-12-25-15-9-7-14(8-10-15)20-26-18(3,4)19(5,6)27-20/h7-10,13,24H,11-12H2,1-6H3
InChI Key:
DLCGSWBNPOKAFL-UHFFFAOYSA-N
SMILES:
CC(c1c(O)nnn1CCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.217g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.26g/mol
Monoisotopic Mass:
373.217g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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