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Home > Fluorides > 159383-84-3
159383-84-3 | 1,2-Propanediol, 3,3,3-trifluoro-2-phenyl-, (2R)-
CAS No: 159383-84-3 Catalog No: AG001QN9 MDL No:
Product Description
Catalog Number:
AG001QN9
Chemical Name:
1,2-Propanediol, 3,3,3-trifluoro-2-phenyl-, (2R)-
CAS Number:
159383-84-3
Molecular Formula:
C9H9F3O2
Molecular Weight:
206.1618
IUPAC Name:
(2R)-3,3,3-trifluoro-2-phenylpropane-1,2-diol
InChI:
InChI=1S/C9H9F3O2/c10-9(11,12)8(14,6-13)7-4-2-1-3-5-7/h1-5,13-14H,6H2/t8-/m0/s1
InChI Key:
KYVYURDQRMJYHE-QMMMGPOBSA-N
SMILES:
OC[C@@](C(F)(F)F)(c1ccccc1)O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
206.055g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.164g/mol
Monoisotopic Mass:
206.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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