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Home > Boronic Acids > 865314-28-9
865314-28-9 | (3-((4-(tert-butoxycarbonyl)piperazin-1-yl)methyl)phenyl)boronic acid
CAS No: 865314-28-9 Catalog No: AG019ENW MDL No:MFCD22419048
Product Description
Catalog Number:
AG019ENW
Chemical Name:
(3-((4-(tert-butoxycarbonyl)piperazin-1-yl)methyl)phenyl)boronic acid
CAS Number:
865314-28-9
Molecular Formula:
C16H25BN2O4
Molecular Weight:
320.1917
MDL Number:
MFCD22419048
IUPAC Name:
[3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]phenyl]boronic acid
InChI:
InChI=1S/C16H25BN2O4/c1-16(2,3)23-15(20)19-9-7-18(8-10-19)12-13-5-4-6-14(11-13)17(21)22/h4-6,11,21-22H,7-10,12H2,1-3H3
InChI Key:
MFEOKQZFYJRCEP-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)Cc1cccc(c1)B(O)O)OC(C)(C)C
Properties
Complexity:
392
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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