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Home > Boronic Acids > 1256360-53-8
1256360-53-8 | tert-Butyl 4-(2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine-1-carboxylat95%
CAS No: 1256360-53-8 Catalog No: AG009BQV MDL No:MFCD18087734
Product Description
Catalog Number:
AG009BQV
Chemical Name:
tert-Butyl 4-(2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine-1-carboxylat95%
CAS Number:
1256360-53-8
Molecular Formula:
C22H34BFN2O4
Molecular Weight:
420.3258
MDL Number:
MFCD18087734
IUPAC Name:
tert-butyl 4-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate
InChI:
InChI=1S/C22H34BFN2O4/c1-20(2,3)28-19(27)26-13-11-25(12-14-26)15-16-9-8-10-17(18(16)24)23-29-21(4,5)22(6,7)30-23/h8-10H,11-15H2,1-7H3
InChI Key:
XJNRONOMJJOLMD-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)Cc1cccc(c1F)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.26g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.332g/mol
Monoisotopic Mass:
420.26g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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