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850568-64-8 | (2-(((tert-Butoxycarbonyl)amino)methyl)-4-fluorophenyl)boronic acid
CAS No: 850568-64-8 Catalog No: AG004S9P MDL No:MFCD06659826
Product Description
Catalog Number:
AG004S9P
Chemical Name:
(2-(((tert-Butoxycarbonyl)amino)methyl)-4-fluorophenyl)boronic acid
CAS Number:
850568-64-8
Molecular Formula:
C12H17BFNO4
Molecular Weight:
269.0771
MDL Number:
MFCD06659826
IUPAC Name:
[4-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
InChI:
InChI=1S/C12H17BFNO4/c1-12(2,3)19-11(16)15-7-8-6-9(14)4-5-10(8)13(17)18/h4-6,17-18H,7H2,1-3H3,(H,15,16)
InChI Key:
WANLARIENVQVRS-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1CNC(=O)OC(C)(C)C)F)O
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.123g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
269.079g/mol
Monoisotopic Mass:
269.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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