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Home > Fluorides > 113965-66-5
113965-66-5 | 2-Propanol, 1,1,1-trifluoro-3-[(R)-(4-methylphenyl)sulfinyl]-, (2S)-
CAS No: 113965-66-5 Catalog No: AG000A6N MDL No:
Product Description
Catalog Number:
AG000A6N
Chemical Name:
2-Propanol, 1,1,1-trifluoro-3-[(R)-(4-methylphenyl)sulfinyl]-, (2S)-
CAS Number:
113965-66-5
Molecular Formula:
C10H11F3O2S
Molecular Weight:
252.2533
IUPAC Name:
(2S)-1,1,1-trifluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
InChI:
InChI=1S/C10H11F3O2S/c1-7-2-4-8(5-3-7)16(15)6-9(14)10(11,12)13/h2-5,9,14H,6H2,1H3/t9-,16-/m1/s1
InChI Key:
GLIYKUFNDONAPU-JDNHERCYSA-N
SMILES:
O[C@@H](C(F)(F)F)C[S@@](=O)c1ccc(cc1)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
252.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.251g/mol
Monoisotopic Mass:
252.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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