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Home > Boronic Acids > 1704064-07-2
1704064-07-2 | 4-(3-(4-(tert-butoxycarbonyl)piperazin-1-yl)propoxy)-3-fluorophenylboronic acid
CAS No: 1704064-07-2 Catalog No: AG00ARNH MDL No:MFCD28805670
Product Description
Catalog Number:
AG00ARNH
Chemical Name:
4-(3-(4-(tert-butoxycarbonyl)piperazin-1-yl)propoxy)-3-fluorophenylboronic acid
CAS Number:
1704064-07-2
MDL Number:
MFCD28805670
IUPAC Name:
[3-fluoro-4-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propoxy]phenyl]boronic acid
InChI:
InChI=1S/C18H28BFN2O5/c1-18(2,3)27-17(23)22-10-8-21(9-11-22)7-4-12-26-16-6-5-14(19(24)25)13-15(16)20/h5-6,13,24-25H,4,7-12H2,1-3H3
InChI Key:
FGFINSBWXXPWIQ-UHFFFAOYSA-N
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.208g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
382.239g/mol
Monoisotopic Mass:
382.208g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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