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Home > Boronic Acids > 1704063-53-5
1704063-53-5 | (3-(2-(4-(tert-butoxycarbonyl)piperazin-1-yl)ethoxy)phenyl)boronic acid
CAS No: 1704063-53-5 Catalog No: AG00AR8H MDL No:
Product Description
Catalog Number:
AG00AR8H
Chemical Name:
(3-(2-(4-(tert-butoxycarbonyl)piperazin-1-yl)ethoxy)phenyl)boronic acid
CAS Number:
1704063-53-5
Molecular Formula:
C17H27BN2O5
Molecular Weight:
350.2177
IUPAC Name:
[3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethoxy]phenyl]boronic acid
InChI:
InChI=1S/C17H27BN2O5/c1-17(2,3)25-16(21)20-9-7-19(8-10-20)11-12-24-15-6-4-5-14(13-15)18(22)23/h4-6,13,22-23H,7-12H2,1-3H3
InChI Key:
XRDLKCWCRVEMCX-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)CCOc1cccc(c1)B(O)O)OC(C)(C)C
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.201g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.222g/mol
Monoisotopic Mass:
350.201g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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