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Home > Boronic Acids > 1704096-32-1
1704096-32-1 | (3-(1-(4-(tert-butoxycarbonyl)piperazin-1-yl)ethyl)phenyl)boronic acid
CAS No: 1704096-32-1 Catalog No: AG00AR89 MDL No:
Product Description
Catalog Number:
AG00AR89
Chemical Name:
(3-(1-(4-(tert-butoxycarbonyl)piperazin-1-yl)ethyl)phenyl)boronic acid
CAS Number:
1704096-32-1
Molecular Formula:
C17H27BN2O4
Molecular Weight:
334.2183
IUPAC Name:
[3-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]phenyl]boronic acid
InChI:
InChI=1S/C17H27BN2O4/c1-13(14-6-5-7-15(12-14)18(22)23)19-8-10-20(11-9-19)16(21)24-17(2,3)4/h5-7,12-13,22-23H,8-11H2,1-4H3
InChI Key:
DQPSSKIHVQBJNF-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)C(c1cccc(c1)B(O)O)C)OC(C)(C)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.206g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.223g/mol
Monoisotopic Mass:
334.206g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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