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Home > Boronic Acids > 747413-21-4
747413-21-4 | 1-Methyl-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);piperazine
CAS No: 747413-21-4 Catalog No: AG003EI2 MDL No:MFCD06795650
Product Description
Catalog Number:
AG003EI2
Chemical Name:
1-Methyl-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);piperazine
CAS Number:
747413-21-4
Molecular Formula:
C17H27BN2O2
Molecular Weight:
302.2195
MDL Number:
MFCD06795650
IUPAC Name:
1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
InChI:
InChI=1S/C17H27BN2O2/c1-16(2)17(3,4)22-18(21-16)14-6-8-15(9-7-14)20-12-10-19(5)11-13-20/h6-9H,10-13H2,1-5H3
InChI Key:
RDFJBDMCBVSCFI-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.217g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.225g/mol
Monoisotopic Mass:
302.217g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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