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880094-00-8 | 1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanol
CAS No: 880094-00-8 Catalog No: AG01EY5M MDL No:
Product Description
Catalog Number:
AG01EY5M
Chemical Name:
1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanol
CAS Number:
880094-00-8
Molecular Formula:
C9H8F4O
Molecular Weight:
208.1528
IUPAC Name:
1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
InChI:
InChI=1S/C9H8F4O/c1-5(14)6-2-7(9(11,12)13)4-8(10)3-6/h2-5,14H,1H3
InChI Key:
XODJGUXJHGDPTL-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)C(F)(F)F)C(O)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.156g/mol
Monoisotopic Mass:
208.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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