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Home > Boronic Acids > 1704064-00-5
1704064-00-5 | 4-((4-(tert-butoxycarbonyl)piperazin-1-yl)Methyl)-3-fluorophenylboronic acid
CAS No: 1704064-00-5 Catalog No: AG00ARMX MDL No:MFCD28384232
Product Description
Catalog Number:
AG00ARMX
Chemical Name:
4-((4-(tert-butoxycarbonyl)piperazin-1-yl)Methyl)-3-fluorophenylboronic acid
CAS Number:
1704064-00-5
Molecular Formula:
C16H24BFN2O4
Molecular Weight:
338.1822
MDL Number:
MFCD28384232
IUPAC Name:
[3-fluoro-4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]phenyl]boronic acid
InChI:
InChI=1S/C16H24BFN2O4/c1-16(2,3)24-15(21)20-8-6-19(7-9-20)11-12-4-5-13(17(22)23)10-14(12)18/h4-5,10,22-23H,6-9,11H2,1-3H3
InChI Key:
XLDYCBRJWKIQDK-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)Cc1ccc(cc1F)B(O)O)OC(C)(C)C
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.181g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.186g/mol
Monoisotopic Mass:
338.181g/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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