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Home > Boronic Acids > 1190095-10-3
1190095-10-3 | 1-Piperazinecarboxylic acid, 4-[(4-boronophenyl)methyl]-, 1-(1,1-dimethylethyl) ester
CAS No: 1190095-10-3 Catalog No: AG000P1P MDL No:MFCD18384135
Product Description
Catalog Number:
AG000P1P
Chemical Name:
1-Piperazinecarboxylic acid, 4-[(4-boronophenyl)methyl]-, 1-(1,1-dimethylethyl) ester
CAS Number:
1190095-10-3
Molecular Formula:
C16H25BN2O4
Molecular Weight:
320.1917
MDL Number:
MFCD18384135
IUPAC Name:
[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]phenyl]boronic acid
InChI:
InChI=1S/C16H25BN2O4/c1-16(2,3)23-15(20)19-10-8-18(9-11-19)12-13-4-6-14(7-5-13)17(21)22/h4-7,21-22H,8-12H2,1-3H3
InChI Key:
MFIQWUMSXLZAIK-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)CN1CCN(CC1)C(=O)OC(C)(C)C)O
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.191g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.196g/mol
Monoisotopic Mass:
320.191g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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