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1146629-74-4 | Pyrrolidine, 2-[bis[3,5-bis(trifluoromethyl)phenyl][[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (2R)-
CAS No: 1146629-74-4 Catalog No: AG000EZ7 MDL No:MFCD15528963
Product Description
Catalog Number:
AG000EZ7
Chemical Name:
Pyrrolidine, 2-[bis[3,5-bis(trifluoromethyl)phenyl][[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (2R)-
CAS Number:
1146629-74-4
Molecular Formula:
C27H29F12NOSi
Molecular Weight:
639.5916
MDL Number:
MFCD15528963
IUPAC Name:
[bis[3,5-bis(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methoxy]-tert-butyl-dimethylsilane
InChI:
InChI=1S/C27H29F12NOSi/c1-22(2,3)42(4,5)41-23(21-7-6-8-40-21,15-9-17(24(28,29)30)13-18(10-15)25(31,32)33)16-11-19(26(34,35)36)14-20(12-16)27(37,38)39/h9-14,21,40H,6-8H2,1-5H3/t21-/m1/s1
InChI Key:
ZLULOCHUEDLXQY-OAQYLSRUSA-N
SMILES:
C[Si](C(C)(C)C)(OC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@H]1CCCN1)C
Properties
Complexity:
827
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
639.183g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
639.601g/mol
Monoisotopic Mass:
639.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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