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Home > Boronic Acids > 1010104-30-9
1010104-30-9 | 1-(4-methyl-1-piperazinyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-Ethanone
CAS No: 1010104-30-9 Catalog No: AG00947X MDL No:MFCD18783186
Product Description
Catalog Number:
AG00947X
Chemical Name:
1-(4-methyl-1-piperazinyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-Ethanone
CAS Number:
1010104-30-9
Molecular Formula:
C19H29BN2O3
Molecular Weight:
344.2562
MDL Number:
MFCD18783186
IUPAC Name:
1-(4-methylpiperazin-1-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
InChI:
InChI=1S/C19H29BN2O3/c1-18(2)19(3,4)25-20(24-18)16-8-6-15(7-9-16)14-17(23)22-12-10-21(5)11-13-22/h6-9H,10-14H2,1-5H3
InChI Key:
CDLWYEGACFMAKG-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.227g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.262g/mol
Monoisotopic Mass:
344.227g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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