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Home > Fluorides > 114107-02-7
114107-02-7 | 2-Propanol, 1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]-, (2S)-
CAS No: 114107-02-7 Catalog No: AG000AKO MDL No:
Product Description
Catalog Number:
AG000AKO
Chemical Name:
2-Propanol, 1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]-, (2S)-
CAS Number:
114107-02-7
Molecular Formula:
C10H13FO2S
Molecular Weight:
216.2724
IUPAC Name:
(2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
InChI:
InChI=1S/C10H13FO2S/c1-8-2-4-10(5-3-8)14(13)7-9(12)6-11/h2-5,9,12H,6-7H2,1H3/t9-,14+/m0/s1
InChI Key:
XBTSYSFOHPLWQC-LKFCYVNXSA-N
SMILES:
FC[C@@H](C[S@@](=O)c1ccc(cc1)C)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
216.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.27g/mol
Monoisotopic Mass:
216.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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