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Home > Fluorides > 1258327-01-3
1258327-01-3 | 1,1'-Spirobi[1H-indene]-7,7'-diol, 6,6'-bis[3,5-bis(trifluoromethyl)phenyl]-2,2',3,3'-tetrahydro-, (1S)-
CAS No: 1258327-01-3 Catalog No: AG000OTR MDL No:
Product Description
Catalog Number:
AG000OTR
Chemical Name:
1,1'-Spirobi[1H-indene]-7,7'-diol, 6,6'-bis[3,5-bis(trifluoromethyl)phenyl]-2,2',3,3'-tetrahydro-, (1S)-
CAS Number:
1258327-01-3
IUPAC Name:
5,5'-bis[3,5-bis(trifluoromethyl)phenyl]-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
InChI:
InChI=1S/C33H20F12O2/c34-30(35,36)19-9-17(10-20(13-19)31(37,38)39)23-3-1-15-5-7-29(25(15)27(23)46)8-6-16-2-4-24(28(47)26(16)29)18-11-21(32(40,41)42)14-22(12-18)33(43,44)45/h1-4,9-14,46-47H,5-8H2
InChI Key:
FTEQZGBBSPOTTH-UHFFFAOYSA-N
Properties
Complexity:
985
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
676.127g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
676.502g/mol
Monoisotopic Mass:
676.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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