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Home > Boronic Acids > 1150561-68-4
1150561-68-4 | 1-Piperazinecarboxylic acid, 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, phenylmethyl ester
CAS No: 1150561-68-4 Catalog No: AG000FSX MDL No:MFCD12026103
Product Description
Catalog Number:
AG000FSX
Chemical Name:
1-Piperazinecarboxylic acid, 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, phenylmethyl ester
CAS Number:
1150561-68-4
Molecular Formula:
C24H31BN2O4
Molecular Weight:
422.3249
MDL Number:
MFCD12026103
IUPAC Name:
benzyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate
InChI:
InChI=1S/C24H31BN2O4/c1-23(2)24(3,4)31-25(30-23)20-10-12-21(13-11-20)26-14-16-27(17-15-26)22(28)29-18-19-8-6-5-7-9-19/h5-13H,14-18H2,1-4H3
InChI Key:
ZOHXVPNICYVOFQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OCc1ccccc1
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.238g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.332g/mol
Monoisotopic Mass:
422.238g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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