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Home > Boronic Acids > 957061-20-0
957061-20-0 | 1-(2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethyl)-1H-pyrazole
CAS No: 957061-20-0 Catalog No: AG006BS8 MDL No:MFCD09258658
Product Description
Catalog Number:
AG006BS8
Chemical Name:
1-(2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethyl)-1H-pyrazole
CAS Number:
957061-20-0
Molecular Formula:
C17H23BN2O3
Molecular Weight:
314.1871
MDL Number:
MFCD09258658
IUPAC Name:
1-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]pyrazole
InChI:
InChI=1S/C17H23BN2O3/c1-16(2)17(3,4)23-18(22-16)14-6-8-15(9-7-14)21-13-12-20-11-5-10-19-20/h5-11H,12-13H2,1-4H3
InChI Key:
RHYXZVARIISSFR-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)OCCn1cccn1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.18g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.192g/mol
Monoisotopic Mass:
314.18g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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