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Home > Boronic Acids > 1105039-88-0
1105039-88-0 | 1-(4-Methoxybenzyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No: 1105039-88-0 Catalog No: AG0099CE MDL No:MFCD16877287
Product Description
Catalog Number:
AG0099CE
Chemical Name:
1-(4-Methoxybenzyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
1105039-88-0
Molecular Formula:
C17H23BN2O3
Molecular Weight:
314.1871
MDL Number:
MFCD16877287
IUPAC Name:
1-[(4-methoxyphenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C17H23BN2O3/c1-16(2)17(3,4)23-18(22-16)14-10-19-20(12-14)11-13-6-8-15(21-5)9-7-13/h6-10,12H,11H2,1-5H3
InChI Key:
RUSNSMNLZWNVHT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
395
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:
4
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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