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Home > Boronic Acids > 1218790-82-9
1218790-82-9 | 1-Piperazinecarboxylic acid, 4-(3-boronobenzoyl)-, 1-(1,1-dimethylethyl) ester
CAS No: 1218790-82-9 Catalog No: AG0016AB MDL No:MFCD12546575
Product Description
Catalog Number:
AG0016AB
Chemical Name:
1-Piperazinecarboxylic acid, 4-(3-boronobenzoyl)-, 1-(1,1-dimethylethyl) ester
CAS Number:
1218790-82-9
Molecular Formula:
C16H23BN2O5
Molecular Weight:
334.1752
MDL Number:
MFCD12546575
IUPAC Name:
[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]phenyl]boronic acid
InChI:
InChI=1S/C16H23BN2O5/c1-16(2,3)24-15(21)19-9-7-18(8-10-19)14(20)12-5-4-6-13(11-12)17(22)23/h4-6,11,22-23H,7-10H2,1-3H3
InChI Key:
ULYBKVRJSMFUJC-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)C(=O)c1cccc(c1)B(O)O)OC(C)(C)C
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.17g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.179g/mol
Monoisotopic Mass:
334.17g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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