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Home > Boronic Acids > 1101174-00-8
1101174-00-8 | 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]triazole
CAS No: 1101174-00-8 Catalog No: AG01DIF3 MDL No:MFCD22570712
Product Description
Catalog Number:
AG01DIF3
Chemical Name:
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]triazole
CAS Number:
1101174-00-8
Molecular Formula:
C14H18BN3O2
Molecular Weight:
271.1226
MDL Number:
MFCD22570712
IUPAC Name:
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]triazole
InChI:
InChI=1S/C14H18BN3O2/c1-13(2)14(3,4)20-15(19-13)11-5-7-12(8-6-11)18-10-9-16-17-18/h5-10H,1-4H3
InChI Key:
QITCHNCEDJSMAY-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)n1ccnn1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.149g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.127g/mol
Monoisotopic Mass:
271.149g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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