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Home > Fluorides > 127852-28-2
127852-28-2 | Benzenemethanol, α-methyl-3,5-bis(trifluoromethyl)-, (αR)-
CAS No: 127852-28-2 Catalog No: AG000XGX MDL No:MFCD03093010
Product Description
Catalog Number:
AG000XGX
Chemical Name:
Benzenemethanol, α-methyl-3,5-bis(trifluoromethyl)-, (αR)-
CAS Number:
127852-28-2
Molecular Formula:
C10H8F6O
Molecular Weight:
258.1603
MDL Number:
MFCD03093010
IUPAC Name:
(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol
InChI:
InChI=1S/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3/t5-/m1/s1
InChI Key:
MMSCIQKQJVBPIR-RXMQYKEDSA-N
SMILES:
C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
258.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.163g/mol
Monoisotopic Mass:
258.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Asymmetric biocatalytic reduction of 3,5-bis(trifluoromethyl) acetophenone to (1R)-[3,5-bis(trifluoromethyl)phenyl] ethanol using whole cells of newly isolated Leifsonia xyli HS0904. | Applied microbiology and biotechnology 20110601 |
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