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1268512-08-8 | Cyclohexanone, 4-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-2-fluoro-, (2R,4S)-rel-
CAS No: 1268512-08-8 Catalog No: AG000TBP MDL No:
Product Description
Catalog Number:
AG000TBP
Chemical Name:
Cyclohexanone, 4-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-2-fluoro-, (2R,4S)-rel-
CAS Number:
1268512-08-8
Molecular Formula:
C22H27FO2Si
Molecular Weight:
370.5325
IUPAC Name:
(2R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexan-1-one
InChI:
InChI=1S/C22H27FO2Si/c1-22(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-17-14-15-21(24)20(23)16-17/h4-13,17,20H,14-16H2,1-3H3/t17?,20-/m1/s1
InChI Key:
QPSJGTYAYBXFGD-UUSAFJCLSA-N
SMILES:
O=C1CC[C@@H](C[C@H]1F)O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
370.176g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.539g/mol
Monoisotopic Mass:
370.176g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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