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10531-50-7 | (R)-2,2,2-Trifluoro-1-phenylethanol
CAS No: 10531-50-7 Catalog No: AG003C3A MDL No:MFCD00077844
Product Description
Catalog Number:
AG003C3A
Chemical Name:
(R)-2,2,2-Trifluoro-1-phenylethanol
CAS Number:
10531-50-7
Molecular Formula:
C8H7F3O
Molecular Weight:
176.1358
MDL Number:
MFCD00077844
IUPAC Name:
(1R)-2,2,2-trifluoro-1-phenylethanol
InChI:
InChI=1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H/t7-/m1/s1
InChI Key:
VNOMEAQPOMDWSR-SSDOTTSWSA-N
SMILES:
O[C@@H](C(F)(F)F)c1ccccc1
EC Number:
234-094-1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
176.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.138g/mol
Monoisotopic Mass:
176.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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