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Home > Boronic Acids > 1569085-44-4
1569085-44-4 | 1-(4-Methoxybenzyl)-3-Methyl-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazole(Mixture)
CAS No: 1569085-44-4 Catalog No: AG00HYFB MDL No:MFCD16877289
Product Description
Catalog Number:
AG00HYFB
Chemical Name:
1-(4-Methoxybenzyl)-3-Methyl-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-1H-Pyrazole(Mixture)
CAS Number:
1569085-44-4
Molecular Formula:
C18H25BN2O3
Molecular Weight:
328.2137
MDL Number:
MFCD16877289
IUPAC Name:
1-[(4-methoxyphenyl)methyl]-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C18H25BN2O3/c1-13-16(19-23-17(2,3)18(4,5)24-19)12-21(20-13)11-14-7-9-15(22-6)10-8-14/h7-10,12H,11H2,1-6H3
InChI Key:
CVJHWVBDVVTAPL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1cc(c(n1)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.196g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.219g/mol
Monoisotopic Mass:
328.196g/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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