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Home > Boronic Acids > 1415312-45-6
1415312-45-6 | 2-(oxan-2-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,2,3-triazole
CAS No: 1415312-45-6 Catalog No: AG01B3YF MDL No:MFCD26521334
Product Description
Catalog Number:
AG01B3YF
Chemical Name:
2-(oxan-2-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,2,3-triazole
CAS Number:
1415312-45-6
Molecular Formula:
C13H22BN3O3
Molecular Weight:
279.1431
MDL Number:
MFCD26521334
IUPAC Name:
2-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazole
InChI:
InChI=1S/C13H22BN3O3/c1-12(2)13(3,4)20-14(19-12)10-9-15-17(16-10)11-7-5-6-8-18-11/h9,11H,5-8H2,1-4H3
InChI Key:
RJLKRDFOUAYHQS-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnn(n1)C1CCCCO1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.175g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.147g/mol
Monoisotopic Mass:
279.175g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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